SCHEMBL13401017

SCHEMBL13401017

Nc1cc(N)cc(C(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL21393521 0.84 CES2 (0.34)
SCHEMBL2017939 0.82 GAA (0.35) ALDH1A1GAAMAPT
SCHEMBL30633552 0.82 GAA (0.35) ALDH1A1GAAMAPT
SCHEMBL12266824 0.82 ALDH1A1 (0.36) CYP3A4ALDH1A1TSHRCASP1
SCHEMBL11798292 0.82 ALDH1A1 (0.57) ALDH1A1TSHR
SCHEMBL24803970 0.82
SCHEMBL11803395 0.82 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRTP53
SCHEMBL23442120 0.80 ADRB2 (0.33) ALDH1A1TSHR
SCHEMBL23412493 0.80 ADRB2 (0.33) ALDH1A1TSHR
SCHEMBL29723343 0.80 ADRB2 (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4389738-A1 SOS1 INHIBITOR AND USE THEREOF Kanaph Therapeutics Inc. (KR) 2024-06-26 EP disclosed
US-20100086871-A1 PHOTOSENSITIVE POLYIMIDES ETERNAL CHEMICAL CO., LTD. 2010-04-08 US disclosed
US-20100086871-A1 PHOTOSENSITIVE POLYIMIDES ETERNAL CHEMICAL CO., LTD. 2010-04-08 US disclosed