SCHEMBL29129019

SCHEMBL29129019

CN1CCN(Cc2cc(C(=O)O)cc(C(F)(F)F)c2)CC1.[LiH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 9/20 0.52
USP2 O75604 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
DDR2 Q16832 7/20 0.48
NTRK1 P04629 1/20 0.48
NTRK3 Q16288 1/20 0.48
NTRK2 Q16620 1/20 0.48
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
CHKA P35790 1/20 0.46
ABL1 P00519 3/20 0.46
BCR P11274 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL30934698 0.99 DDR1 (0.52) DDR1USP2CYP1A2CYP2C19DDR2
SCHEMBL15846718 0.99 DDR1 (0.52) DDR1USP2CYP1A2CYP2C19DDR2
Lithium SCHEMBL30697091 0.97 DDR1 (0.52) DDR1USP2CYP1A2CYP2C19DDR2
SCHEMBL23795672 0.88 USP2 (0.50) DDR1USP2CYP1A2CYP2C19DDR2
SCHEMBL30211921 0.87 DDR1 (0.52) DDR1USP2CYP1A2CYP2C19DDR2
SCHEMBL4949624 0.86 ALDH1A1 (0.55) DDR1DDR2TSHRCYP2D6ABL1
Lithium Ion SCHEMBL29968172 0.86 DDR1 (0.51) DDR1USP2CYP1A2CYP2C19DDR2
Lithium Ion SCHEMBL25341441 0.86 DDR1 (0.51) DDR1USP2CYP1A2CYP2C19DDR2
SCHEMBL30339886 0.85 NOTUM (0.58) DDR1USP2DDR2NTRK1NTRK3
SCHEMBL24071005 0.85 CYP2D6 (0.53) DDR1USP2CYP1A2CYP2C19DDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117062812-A Indoline derivatives as DDR inhibitors 奇斯药制品公司 2023-11-14 CN disclosed