SCHEMBL9102523

SCHEMBL9102523

Cc1ccc2cc(OC(=O)O)ccc2n1.Cc1ccc2nc(C)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
NCK1 P16333 1/20 0.42
BACE1 P56817 1/20 0.42
CASP6 P55212 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL8643145 0.94 CYP1A2 (0.50) CYP1A2MEN1KMT2AKDM4ENPC1
SCHEMBL424926 0.84 PDE3B (0.52) CYP1A2MEN1KMT2AKDM4ENPC1
SCHEMBL161703 0.79 CYP1A2 (1.00) CYP1A2MEN1KMT2AKDM4ENPC1
SCHEMBL29444268 0.79 CYP1A2 (1.00) CYP1A2MEN1KMT2AKDM4ENPC1
SCHEMBL11351367 0.78 CYP1A2 (0.50) CYP1A2MEN1KMT2AKDM4ENCK1
SCHEMBL9102522 0.77 CYP1A2 (0.68) CYP1A2MEN1KMT2AKDM4ENPC1
Iodide SCHEMBL31142554 0.77 CYP1A2 (0.95) CYP1A2MEN1KMT2AKDM4ENPC1
SCHEMBL4656967 0.76 KMT2A (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL265624 0.76 LMNA (0.67) CYP1A2MEN1KMT2AKDM4EPOLB
SCHEMBL6193604 0.75 CA2 (0.51) CYP1A2MEN1KMT2AKDM4ENPC1

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-0707656-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
WO-1995002061-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1995-01-19 WO disclosed