SCHEMBL8712639

SCHEMBL8712639

O=c1[nH]cccc1CCCCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
MCL1 Q07820 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
PARP1 P09874 2/20 0.35
CHEK1 O14757 3/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
FFAR3 O14843 2/20 0.33
FFAR2 O15552 2/20 0.33
HCAR2 Q8TDS4 2/20 0.33
POLB P06746 2/20 0.32

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
SCHEMBL9752756 0.88 DAO (0.43) DAOAURKAAURKBINCENPMCL1
SCHEMBL9234355 0.86 DAO (0.45) DAOAURKAAURKBINCENPMCL1
SCHEMBL4602524 0.81 CHEK1 (0.51) DAOAURKAAURKBINCENPMCL1
SCHEMBL6536604 0.81 DAO (0.45) DAOAURKAAURKBINCENPMCL1
SCHEMBL10692239 0.81 DAO (0.41) DAOAURKAAURKBINCENPMCL1
SCHEMBL29743274 0.79
SCHEMBL2495417 0.79 GPR84 (0.46) DAOAURKAAURKBINCENPMCL1
SCHEMBL14974903 0.78 GPR84 (0.49) MCL1ALDH1A1KDM4ETHRB
SCHEMBL10764266 0.78 GPR84 (0.49) MCL1ALDH1A1KDM4ETHRB
SCHEMBL5166986 0.78 GPR84 (0.49) MCL1ALDH1A1KDM4ETHRB

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
EP-0873319-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-10-28 EP disclosed
WO-1997022596-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-06-26 WO disclosed