SCHEMBL6989987

SCHEMBL6989987

CC(=O)Oc1ccccc1C=Cc1cc2ccccc2n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MCL1 Q07820 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
SCHEMBL6989986 1.00 ALB (0.51) ALBMEN1KMT2ANPC1RAB9A
SCHEMBL6996716 0.90 ALB (0.47) ALBMEN1KMT2ANPC1RAB9A
SCHEMBL6996712 0.90 ALB (0.47) ALBMEN1KMT2ANPC1RAB9A
SCHEMBL6991270 0.87 KMT2A (0.58) ALBMEN1KMT2ANPC1RAB9A
SCHEMBL6991265 0.87 KMT2A (0.58) ALBMEN1KMT2ANPC1RAB9A
SCHEMBL6994514 0.81 SRD5A2 (0.51) ALBMEN1KMT2ANPC1RAB9A
SCHEMBL6994512 0.81 SRD5A2 (0.51) ALBMEN1KMT2ANPC1RAB9A
SCHEMBL6990795 0.79 ALB (0.48) ALBMEN1KMT2ANPC1RAB9A
SCHEMBL6990796 0.79 ALB (0.48) ALBMEN1KMT2ANPC1RAB9A
SCHEMBL6987722 0.79 ALB (0.48) ALBMEN1KMT2ANPC1RAB9A

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-0768311-B1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2003-08-06 EP disclosed
US-5728709-A COAGULANTS AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-17 US disclosed
EP-0768311-A1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-04-16 EP disclosed