SCHEMBL9755342

SCHEMBL9755342

Cc1cc2nc3ccccc3cc2c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
GLA P06280 2/20 0.52
MAPT P10636 2/20 0.52
ACHE P22303 1/20 0.52
NQO2 P16083 3/20 0.52
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PTBP1 P26599 1/20 0.47
RCE1 Q9Y256 1/20 0.47
PDE10A Q9Y233 1/20 0.46
MBNL1 Q9NR56 1/20 0.45
STAT3 P40763 1/20 0.44
MEN1 O00255 1/20 0.41

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
SCHEMBL30527881 1.00 ALDH1A1 (0.52) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL17508352 0.81 TDP1 (0.50) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL11058180 0.81 KMT2A (0.58) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL29664474 0.81 ESR1 (0.58) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL2773901 0.81 ALDH1A1 (0.52) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL30164507 0.81 ALDH1A1 (0.52) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL18907174 0.81 ALDH1A1 (0.52) ALDH1A1HPGDGLAMAPTACHE
Bromide SCHEMBL17508351 0.79 ALDH1A1 (0.50) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL29033070 0.79 ALDH1A1 (0.50) ALDH1A1HPGDGLAMAPTACHE
Iodide SCHEMBL3905318 0.79 ALDH1A1 (0.50) ALDH1A1HPGDGLAMAPTACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295449-A1 COMPOSITION AND LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
WO-1991005770-A1 POTENTIAL ANTICANCER AGENTS DERIVED FROM ACRIDINE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-05-02 WO disclosed