SCHEMBL29047671

SCHEMBL29047671

Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cc(C(F)(F)F)nn2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 11/20 0.59
ABCG2 Q9UNQ0 1/20 0.47
ATM Q13315 2/20 0.47
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
P2RY14 Q15391 1/20 0.46
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARG P37231 1/20 0.45
MEN1 O00255 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
SCHEMBL29047694 0.89 RXFP1 (0.61) RXFP1ATMGAAKMT2AALDH1A1
SCHEMBL28405255 0.89 HDAC3 (0.52) RAB9AGAASMN1; SMN2P2RY14KMT2A
SCHEMBL29047668 0.87 RXFP1 (0.48) RXFP1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL30546933 0.87 RXFP1 (0.48) RXFP1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL28407306 0.82 POLB (0.52) RAB9AGAANPC1ALDH1A1MAPT
SCHEMBL28402002 0.81 MAPT (0.55) RXFP1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL30546927 0.81 RXFP1 (0.57) RXFP1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL29047658 0.81 RXFP1 (0.57) RXFP1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL30546957 0.80 RXFP1 (0.46) RXFP1GAAKMT2AMAPT
SCHEMBL28401432 0.80 GRM5 (0.51) RAB9AGAAP2RY14KMT2ANPC1

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-116535357-A Arylamino benzamide derivative containing substituted pyrazole structure, preparation method and application 西北农林科技大学 2023-08-04 CN disclosed