SCHEMBL31426440

SCHEMBL31426440

[N-]=[N+]=Nc1cccc(N2CCC(F)(F)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
VCP P55072 5/20 0.37
USP2 O75604 3/20 0.34
MAPK1 P28482 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
RIPK1 Q13546 1/20 0.33
EGFR P00533 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL26618063 1.00 HTR1A (0.47) HTR1AVCPUSP2MAPK1HSD17B10
SCHEMBL22466241 0.83 HTR1A (0.49) HTR1AVCPMAPK1HSD17B10ALDH1A1
SCHEMBL23922990 0.79 LMNA (0.49) HTR1AUSP2MAPK1HSD17B10CYP1A2
SCHEMBL29858370 0.73 ADRA2C (0.58) HTR1AUSP2MAPK1HSD17B10CYP1A2
SCHEMBL20557842 0.73 ADRA2C (0.58) HTR1AUSP2MAPK1HSD17B10CYP1A2
SCHEMBL16400691 0.71 MEN1 (0.51) USP2MAPK1HSD17B10CYP1A2CYP2D6
SCHEMBL20159148 0.70 KHK (0.45) HTR1AVCPALDH1A1RIPK1HTR1D
SCHEMBL31316092 0.69 PDE4A (0.47) HTR1AHTR2C
SCHEMBL26646365 0.69 PDE4A (0.47) HTR1AHTR2C
SCHEMBL16748956 0.69 SIGMAR1 (0.44) HTR1ACYP1A2TP53RIPK1CA1

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-119451951-A Compounds for inhibition of KIF18A 沃拉斯查疗法公司 2025-02-14 CN disclosed