SCHEMBL8999327

SCHEMBL8999327

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.51
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
TACR1 P25103 2/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL8999053 0.94 CCKBR (0.53) CCKBRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL8999222 0.80 CCKBR (0.54) CCKBRLMNAKMT2AMEN1TSHR
SCHEMBL8999343 0.79 CCKBR (0.50) CCKBRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL9613706 0.78 CCKBR (0.56) CCKBRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL8998991 0.77 CCKBR (0.56) CCKBRLMNAKMT2AMEN1TSHR
SCHEMBL27785465 0.76 CCKBR (0.52) CCKBRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL8487663 0.74 MC4R (0.47) CCKBRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL8999093 0.74 CCKBR (0.51) CCKBRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL8999421 0.71 EGFR (0.64) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL1853622 0.71 LMNA (0.71) LMNASMN1; SMN2KMT2AMEN1PKM

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