SCHEMBL11809624

SCHEMBL11809624

O=C1Nc2ccc(Sc3ccccc3)c3cccc1c23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.50
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ RORC P51449 2/20 0.46
▸ KDM4E B2RXH2 10/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ POLB P06746 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALPL P05186 1/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ HPGD P15428 5/20 0.44
▸ CASP1 P29466 4/20 0.44
▸ CASP7 P55210 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NSD2 O96028 1/20 0.43

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
SCHEMBL11060440 0.94 BCL2 (0.50) BCL2CDK5CDK5R1RORCKDM4E
SCHEMBL11674909 0.82 BCL2 (0.59) BCL2KDM4EPOLBCASP1CASP7
SCHEMBL11695692 0.81 KDR (0.41) BCL2CDK5CDK5R1RORCKDM4E
SCHEMBL7307793 0.80 CDK5 (0.54) CDK5CDK5R1RORCKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL17726790 0.77 BCL2 (0.51) BCL2KDM4EPOLBGAACASP1
SCHEMBL9450641 0.77 CDK5 (0.50) CDK5CDK5R1RORCKDM4EALDH1A1
SCHEMBL11633105 0.77 ADORA2A (0.41) BCL2CDK5CDK5R1KDM4EPOLB
SCHEMBL9450598 0.77 KDM4E (0.53) CDK5CDK5R1KDM4EALDH1A1POLB
SCHEMBL21501553 0.75 BCL2 (0.62) BCL2POLBCASP1CASP7USP2
SCHEMBL9450628 0.74 KDM4E (0.52) CDK5CDK5R1KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950340-A POLYESTERS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-04-13 — — US disclosed
Send feedback