SCHEMBL31273808

SCHEMBL31273808

O=C(Oc1ccncc1)c1cc[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.52
▸ LMNA P02545 4/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL15300224 0.84 MAPT (0.47) HSD17B10LMNASMN1; SMN2POLBCYP3A4
SCHEMBL28024794 0.81 MAPT (0.49) HSD17B10LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL10710630 0.81 LMNA (0.51) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29111812 0.81 KMT2A (0.46) HSD17B10CYP1A2SMN1; SMN2POLBNPC1
SCHEMBL31275168 0.80 KIF11 (0.47) HSD17B10ALDH1A1MAPTTDP1GAA
SCHEMBL28508119 0.78 ALDH1A1 (0.49) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28787723 0.76 ALDH1A1 (0.33) HSD17B10ALDH1A1KDM4E
SCHEMBL5249075 0.75 KDM4E (0.36) HSD17B10LMNASMN1; SMN2POLBNPC1
SCHEMBL27438012 0.75 MAPT (0.44) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL29543448 0.74 KMT2A (0.48) HSD17B10LMNACYP1A2CYP2C9CYP2C19

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
WO-2024246764-A1 NOVEL BENZAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-12-05 — — WO disclosed
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