SCHEMBL987858

SCHEMBL987858

O=C1CC=Nc2ccc3nc4ccccc4cc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 3/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PTBP1 P26599 1/20 0.41
RCE1 Q9Y256 1/20 0.41
MAPT P10636 2/20 0.39
ACHE P22303 1/20 0.39
ESR1 P03372 5/20 0.39
ESR2 Q92731 4/20 0.39
RXFP1 Q9HBX9 1/20 0.35
TOP2A P11388 2/20 0.34
TOP2B Q02880 2/20 0.34
MEN1 O00255 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL604336 0.74 ALDH1A1 (0.41) ALDH1A1RAB9AGAAKMT2AGLA
SCHEMBL2566141 0.73 RAB9A (0.45) ALDH1A1RAB9AGAAKMT2AGLA
SCHEMBL11880471 0.72 KDM4E (0.32) ALDH1A1RAB9AGAAKMT2AGLA
SCHEMBL4299906 0.70 ALDH1A1 (0.70) ALDH1A1RAB9AGAAKMT2AGLA
SCHEMBL31276067 0.69 ALDH1A1 (0.35) ALDH1A1RAB9AGAAKMT2AGLA
SCHEMBL13742065 0.68 NPC1 (0.44) ALDH1A1RAB9AGAAKMT2AGLA
SCHEMBL10708525 0.67 RAB9A (0.54) ALDH1A1RAB9AGAAKMT2AGLA
SCHEMBL30857473 0.66 ALDH1A1 (0.64) ALDH1A1RAB9AGAAKMT2AGLA
SCHEMBL11905392 0.66 ALDH1A1 (0.64) ALDH1A1RAB9AGAAKMT2AGLA
SCHEMBL296423 0.66 ALDH1A1 (0.46) ALDH1A1RAB9AGAAKMT2AGLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9287517-B2 Functionalization of sp3 hybridized carbon, silicon and/or germanium surfaces CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-03-15 US disclosed
EP-2448684-B1 FUNCTIONALIZATION OF SP3 HYBRIDIZED CARBON, SILICON, AND/OR GERMANIUM SURFACES CENTRE NAT RECH SCIENT (FR) 2015-12-16 EP disclosed
US-20120177894-A1 FUNCTIONALIZATION OF SP3 HYBRIDIZED CARBON, SILICON AND/OR GERMANIUM SURFACES UNIVERSITE JOSEPH FOURIER (FR) 2012-07-12 US disclosed
EP-2448684-A2 FUNCTIONALIZATION OF SP3 HYBRIDIZED CARBON, SILICON, AND/OR GERMANIUM SURFACES Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2012-05-09 EP disclosed
WO-2011001123-A2 FUNCTIONALIZATION OF SP3 HYBRIDIZED CARBON, SILICON, AND/OR GERMANIUM SURFACES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2011-01-06 WO disclosed
US-5624924-A Quinobenzothiazine antineoplastic agents ABBOTT LABORATORIES (US) 1997-04-29 US disclosed
EP-0608215-A1 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1994-08-03 EP disclosed
US-5318965-A Administering to treat leukemia, melanoma, carcinoma of lung, colon, ovaries ABBOTT LABORATORIES (US) 1994-06-07 US disclosed
EP-0608215-A4 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS. ABBOTT LAB (US) 1993-11-11 EP disclosed
WO-1993016702-A1 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1993-09-02 WO disclosed
WO-1992003136-A1 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1992-03-05 WO disclosed
EP-0087951-B1 PHENANTHROLINE DERIVATIVES DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1989-09-13 EP disclosed
US-4474961-A ANTITUMOR AGENT DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1984-10-02 US disclosed
EP-0087951-A2 Phenanthroline derivatives DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1983-09-07 EP disclosed