SCHEMBL17674262

SCHEMBL17674262

O=C(O)Cn1c(-c2nccs2)cc2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.50
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 3/20 0.47
THRB P10828 2/20 0.45
TP53 P04637 3/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CCR2 P41597 1/20 0.39

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
SCHEMBL17674247 0.81 NTRK1 (0.47) NTRK1RXFP1LMNATHRBTP53
SCHEMBL17680316 0.78 NTRK1 (0.44) NTRK1RXFP1LMNATHRBTP53
SCHEMBL17680320 0.77 NTRK1 (0.47) NTRK1RXFP1LMNATHRBTP53
SCHEMBL17680425 0.77 NTRK1 (0.48) NTRK1RXFP1LMNATHRBTP53
SCHEMBL17674435 0.76 NTRK1 (0.57) NTRK1RXFP1LMNATP53MAPT
SCHEMBL17674391 0.76 NTRK1 (0.60) NTRK1RXFP1LMNATHRBL3MBTL1
SCHEMBL17680501 0.76 L3MBTL1 (0.71) NTRK1RXFP1LMNATHRBL3MBTL1
SCHEMBL17674385 0.75 NTRK1 (0.45) NTRK1RXFP1LMNATHRBTP53
SCHEMBL17680515 0.75 NTRK1 (0.45) NTRK1RXFP1LMNATHRBTP53
SCHEMBL17674310 0.74 NTRK1 (0.54) NTRK1RXFP1LMNATHRBTP53

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
WO-2016054807-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-04-14 WO disclosed
WO-2016054807-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-04-14 WO disclosed