SCHEMBL8999037

SCHEMBL8999037

CNC(=O)C(Cc1c[nH]c2ccccc12)SC(Cc1c[nH]c2ccccc12)C(=O)NC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
POLB P06746 2/20 0.57
APAF1 O14727 1/20 0.57
RECQL P46063 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MMP9 P14780 8/20 0.56
MMP8 P22894 8/20 0.56
MMP1 P03956 4/20 0.56
MMP3 P08254 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MMP2 P08253 7/20 0.54
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MPO P05164 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL8999397 0.92 KDM4E (0.57) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL8999082 0.86 KMT2A (0.53) KDM4EMAPTPOLBAPAF1RECQL
Hydrochloric Acid SCHEMBL8398299 0.84 KDM4E (0.68) KDM4EMAPTPOLBAPAF1RECQL
Hydrochloric Acid SCHEMBL6044250 0.84 MMP9 (0.65) KDM4EMAPTPOLBAPAF1RECQL
Hydrochloric Acid SCHEMBL6044254 0.84 MMP9 (0.65) KDM4EMAPTPOLBAPAF1RECQL
Hydrochloric Acid SCHEMBL27780592 0.84 KDM4E (0.68) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL20713624 0.83 POLB (0.72) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL8998993 0.83 KCNT1 (0.60) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL16182036 0.82 MMP9 (0.66) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL876693 0.82 KDM4E (0.70) KDM4EMAPTPOLBAPAF1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 WO disclosed