SCHEMBL6989039

SCHEMBL6989039

Cn1c(/C=C/c2cccc(OCc3ccccc3)c2O)cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 1/20 0.41
SRD5A2 P31213 2/20 0.41
ERN1 O75460 2/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL6989042 1.00 ALB (0.43) ALBCCNB2CDK1CDK4CCNB1
SCHEMBL6988897 0.83 ABL1 (0.51) ALBNPC1RAB9AMEN1KMT2A
SCHEMBL6988902 0.83 ABL1 (0.51) ALBNPC1RAB9AMEN1KMT2A
SCHEMBL6993349 0.80 MEN1 (0.52) ALBNPC1RAB9AMEN1KMT2A
SCHEMBL6993353 0.80 MEN1 (0.52) ALBNPC1RAB9AMEN1KMT2A
SCHEMBL6990816 0.76 ALB (0.47) ALBMEN1KMT2AERN1MAPT
SCHEMBL6990822 0.76 ALB (0.47) ALBMEN1KMT2AERN1MAPT
SCHEMBL6994514 0.75 SRD5A2 (0.51) ALBPTGER3NPC1RAB9AMEN1
SCHEMBL6994512 0.75 SRD5A2 (0.51) ALBPTGER3NPC1RAB9AMEN1
SCHEMBL6995099 0.74 ADORA2A (0.56) ALBCDK4CCND1MEN1KMT2A

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-0768311-B1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2003-08-06 EP disclosed
EP-0768311-A1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-04-16 EP disclosed