SCHEMBL31339912

SCHEMBL31339912

O=C(O)c1cc2ccc(C(F)(F)F)cc2n(-c2ccncc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.45
SORT1 Q99523 4/20 0.43
NOTUM Q6P988 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
MAT2A P31153 1/20 0.39
CCR2 P41597 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
KCNH2 Q12809 1/20 0.37
PFKFB3 Q16875 1/20 0.37
MPL P40238 1/20 0.37
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36

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
SCHEMBL31339826 0.85 TDP2 (0.42) TDP2NOTUMALDH1A1HPGDKDM4E
SCHEMBL31339874 0.83 MAT2A (0.51) TDP2SORT1NOTUMALDH1A1HPGD
Hydrochloric Acid SCHEMBL31339922 0.81 NOTUM (0.40) TDP2SORT1NOTUMALDH1A1HPGD
SCHEMBL31339850 0.81 KDM1A (0.42) TDP2NOTUMALDH1A1HPGDKDM4E
SCHEMBL27642609 0.81 KCNH2 (0.48) TDP2NOTUMALDH1A1HPGDKDM4E
SCHEMBL31339939 0.81 SMN1; SMN2 (0.40) TDP2NOTUMPLA2G10PLA2G2APLA2G5
SCHEMBL31339883 0.80 SORT1 (0.43) TDP2SORT1NOTUMALDH1A1KDM4E
SCHEMBL31339881 0.78 KDM4E (0.44) TDP2SORT1NOTUMALDH1A1HPGD
SCHEMBL31339808 0.78 TBK1 (0.37) TDP2NOTUMALDH1A1HPGDKDM4E
SCHEMBL31339821 0.78 PTPRC (0.39) TDP2NOTUMALDH1A1HPGDKDM4E

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
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed