SCHEMBL7145834

SCHEMBL7145834

NCc1cccc2nc3ccccc3cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 4/20 0.59
GLA P06280 3/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 3/20 0.59
GAA P10253 2/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
PTBP1 P26599 1/20 0.59
RCE1 Q9Y256 1/20 0.59
MAPT P10636 2/20 0.50
ACHE P22303 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
TLR8 Q9NR97 5/20 0.45
IDO1 P14902 1/20 0.45
HTR3A P46098 1/20 0.43
CHRM2 P08172 1/20 0.41
ADRA2A P08913 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
SCHEMBL28318100 0.86 ALDH1A1 (0.53) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL4281890 0.85 KMT2A (0.58) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL23421423 0.85 KMT2A (0.58) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL29631756 0.85 KMT2A (0.58) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL22497413 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL31574332 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL9936012 0.81 KMT2A (0.55) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL291405 0.81 KMT2A (0.55) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL10579170 0.81 KMT2A (0.55) ALDH1A1KMT2AGLAHPGDKDM4E
SCHEMBL29562242 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AGLAHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369417-A1 Acridine derivatives Grünenthal GmbH (DE) 2003-12-10 EP disclosed
EP-0970949-A1 Acridine derivatives Grünenthal GmbH (DE) 2000-01-12 EP disclosed
US-4866073-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-09-12 US disclosed