SCHEMBL31407282

SCHEMBL31407282

Cc1c(C(N)=O)c[nH]c1-c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
SCN9A Q15858 4/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CAMKK2 Q96RR4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
HSD11B1 P28845 1/20 0.38
SLC9A1 P19634 1/20 0.38
HPGD P15428 1/20 0.38
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMO O15229 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
CDC7 O00311 1/20 0.37

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
SCHEMBL29410865 0.87 TAS2R14 (0.47) ALDH1A1CTNNB1WNT3AHSD11B1HPGD
SCHEMBL3302698 0.87 TAS2R14 (0.47) ALDH1A1CTNNB1WNT3AHSD11B1HPGD
SCHEMBL2024463 0.84 NR4A2 (0.47) ALDH1A1HPGDKDM4ETAS2R14SMN1; SMN2
SCHEMBL29575721 0.84 NR4A2 (0.47) ALDH1A1HPGDKDM4ETAS2R14SMN1; SMN2
SCHEMBL16549389 0.82 KDM4E (0.56) ALDH1A1KDM4E
SCHEMBL29760700 0.80 PARP1 (0.50) PARP1SCN9ACCNCCDK8HASPIN
SCHEMBL30889359 0.79 KDM4E (0.45) ALDH1A1CTNNB1WNT3AKDM4E
SCHEMBL23275797 0.78 KDM4E (0.44) ALDH1A1ATMKDM4ESMN1; SMN2
SCHEMBL29410845 0.78 KDM4E (0.44) ALDH1A1ATMKDM4ESMN1; SMN2
SCHEMBL6173688 0.77 PARP1 (0.53) PARP1SCN9AALDH1A1HSD11B1SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025011630-A1 METHOD FOR PREPARING PYRROLE AMIDE COMPOUND AND INTERMEDIATE OF PYRROLE AMIDE COMPOUND 广东东阳光药业股份有限公司 2025-01-16 WO disclosed
WO-2025011628-A1 METHOD FOR PREPARING PYRROLE AMIDE COMPOUND AND INTERMEDIATE THEREOF 广东东阳光药业股份有限公司 2025-01-16 WO disclosed
CN-119306646-A Process for preparing pyrrole amide compounds and intermediates therefor 广东东阳光药业股份有限公司 2025-01-14 CN disclosed
CN-119306645-A Process for preparing pyrrole amide compounds and intermediates therefor 广东东阳光药业股份有限公司 2025-01-14 CN disclosed