SCHEMBL30211971

SCHEMBL30211971

O=Cc1cc(C(=O)Cl)ccc1C(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.33
TYR P14679 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
EGFR P00533 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL25949212 1.00 ERN1 (0.33) ERN1TYRALDH1A1TSHRROCK2
SCHEMBL25339636 0.84 ERN1 (0.44) ERN1ALDH1A1TSHR
SCHEMBL24070498 0.79 ERN1 (0.49) ERN1ALDH1A1
SCHEMBL24070603 0.77 ERN1 (0.46) ERN1ALDH1A1
SCHEMBL30340118 0.77 ERN1 (0.46) ERN1ALDH1A1
SCHEMBL2266518 0.76 KDM4E (0.40) ERN1ALDH1A1EGFR
SCHEMBL7539950 0.74 ERN1 (0.36) ERN1TYRALDH1A1TSHR
SCHEMBL28967160 0.74 ERN1 (0.57) ERN1ALDH1A1
SCHEMBL24070813 0.73 ALDH1A1 (0.42) ERN1TYRALDH1A1TSHR
SCHEMBL3895167 0.73 ERN1 (0.39) ERN1TYRALDH1A1TSHR

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
CN-115697485-B Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2025-03-14 CN disclosed
CN-115697485-A Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2023-02-03 CN disclosed