SCHEMBL29047709

SCHEMBL29047709

Cc1ccc(F)cc1Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.47
MAPK3 P27361 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.43
ESR1 P03372 1/20 0.43
MAPK14 Q16539 1/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
NR2F2 P24468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
CRACR2A Q9BSW2 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 4/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL30546928 1.00 TAS2R14 (0.47) TAS2R14MAPK3MAPK1LMNAESR1
SCHEMBL30546942 0.93 MAPK1 (0.42) TAS2R14MAPK3MAPK1LMNAMAPK14
SCHEMBL29047661 0.93 MAPK1 (0.42) TAS2R14MAPK3MAPK1LMNAMAPK14
SCHEMBL29047677 0.90 LMNA (0.47) MAPK3MAPK1LMNAHTTPOLB
SCHEMBL30546930 0.90 LMNA (0.47) MAPK3MAPK1LMNAHTTPOLB
SCHEMBL29047640 0.89 TAS2R14 (0.47) TAS2R14LMNAMAPK14HTTPOLB
SCHEMBL30546938 0.89 TAS2R14 (0.47) TAS2R14LMNAMAPK14HTTPOLB
SCHEMBL29047582 0.87 RXFP1 (0.48) MAPK14SMN1; SMN2KMT2ACRACR2AALDH1A1
SCHEMBL30546978 0.87 RXFP1 (0.48) MAPK14SMN1; SMN2KMT2ACRACR2AALDH1A1
SCHEMBL29047686 0.87 LMNA (0.49) TAS2R14LMNAMAPK14KMT2ACRACR2A

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