SCHEMBL19212418

SCHEMBL19212418

N#CCc1ccc(C2=CCN(C(=O)O)CC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
CCNT1 O60563 5/20 0.39
CDK9 P50750 5/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
JAK1 P23458 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL22957488 0.84 PDK4 (0.52) CCNT1CDK9JAK1
SCHEMBL19212389 0.83 MEN1 (0.40) CCNT1CDK9MMP2MMP3JAK1
SCHEMBL22324853 0.80 L3MBTL1 (0.41) MMP2MMP3JAK1MAPTNPC1
SCHEMBL4949255 0.80 ALDH1A1 (0.46) CCNT1CDK9MMP2MMP3MEN1
SCHEMBL23291429 0.78 MAPT (0.49) TRPV1MMP2MMP3MEN1KMT2A
SCHEMBL8013522 0.78 MAPT (0.39) TRPV1MMP2MMP3MEN1KMT2A
SCHEMBL5376595 0.77 ALDH1A1 (0.48) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL22324799 0.75 CPS1 (0.48) CCNT1CDK9ALDH1A1
SCHEMBL22324862 0.74 KCNH2 (0.45) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL15524420 0.74 ADAM10 (0.43) MEN1KMT2AMAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414252-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2018-12-19 EP disclosed
WO-2017139778-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-08-17 WO disclosed