SCHEMBL8999430

SCHEMBL8999430

CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
GAA P10253 1/20 0.68
HTT P42858 1/20 0.68
TACR1 P25103 2/20 0.68
MMP2 P08253 1/20 0.66
MMP9 P14780 1/20 0.66
MMP8 P22894 1/20 0.66
BRS3 P32247 1/20 0.66
KMT2A Q03164 1/20 0.66
KCNT1 Q5JUK3 1/20 0.66
BCL2A1 Q16548 2/20 0.64
BID P55957 1/20 0.64
LMNA P02545 1/20 0.63
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62

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
SCHEMBL8482904 0.89 MAPT (0.75) MAPTGAAHTTTACR1MMP2
SCHEMBL24719147 0.88 BCL2A1 (0.64) MAPTTACR1KMT2ABCL2A1BID
SCHEMBL6019857 0.87 CTSL (0.80) MAPTTACR1KMT2ABCL2A1BID
SCHEMBL24301723 0.87 MAPT (0.57) MAPTGAAHTTTACR1MMP2
SCHEMBL30297537 0.86 ACE (0.69) TACR1KMT2A
SCHEMBL30557894 0.86 ACE (0.69) TACR1KMT2A
SCHEMBL15692342 0.86 ACE (0.69) TACR1KMT2A
SCHEMBL15692343 0.86 ACE (0.69) TACR1KMT2A
SCHEMBL24814079 0.85 MMP9 (0.69) TACR1MMP2MMP9MMP8BCL2A1
SCHEMBL30376874 0.85 MMP9 (0.69) TACR1MMP2MMP9MMP8BCL2A1

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