SCHEMBL8998844

SCHEMBL8998844

CN1C(=O)Cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
MET P08581 1/20 0.47
NOTUM Q6P988 1/20 0.47
TRIM24 O15164 2/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
ACVRL1 P37023 4/20 0.44
ACVR1 Q04771 4/20 0.44
BMPR1B O00238 3/20 0.44
AADAT Q8N5Z0 1/20 0.44
SRD5A1 P18405 1/20 0.44
BMPR1A P36894 3/20 0.44
PKM P14618 2/20 0.43
TDP2 O95551 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
SMYD3 Q9H7B4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL12245376 0.85 TRIM24 (0.47) LMNAPOLBTRIM24ALDH1A1GAA
SCHEMBL1899211 0.84 LMNA (0.55) LMNAPOLBMETTRIM24ACVRL1
SCHEMBL8998849 0.80 NOTUM (0.43) LMNAPOLBNOTUMALDH1A1AADAT
SCHEMBL9582543 0.80 FFAR1 (0.47) LMNAPOLBALDH1A1GAAPKM
SCHEMBL248856 0.78 NOTUM (0.56) LMNAPOLBNOTUMALDH1A1GAA
SCHEMBL769477 0.78 ACVRL1 (0.63) ACVRL1ACVR1BMPR1BBMPR1A
SCHEMBL12160587 0.78 TDP2 (0.48) LMNAPOLBMETNOTUMSRD5A1
SCHEMBL8999096 0.77 TRIM24 (0.49) LMNAPOLBNOTUMTRIM24ALDH1A1
SCHEMBL11807706 0.77 MEN1 (0.47) LMNAPOLBTDP2MEN1KMT2A
SCHEMBL434054 0.75 TRIM24 (0.54) LMNAPOLBTRIM24ALDH1A1GAA

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 5 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
US-4160032-A Oxindoles as sleep-inducers SANDOZ, INC. (US) 1979-07-03 US disclosed