SCHEMBL31479956

SCHEMBL31479956

O=C(O)c1nc(-c2ccnnc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NR1H4 Q96RI1 1/20 0.41
RAB9A P51151 6/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MPL P40238 1/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP19A1 P11511 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 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
SCHEMBL5734275 0.82 KDM4E (0.51) KDM4EALDH1A1NR1H4RAB9AHTT
SCHEMBL31479971 0.81 ALDH1A1 (0.41) ALDH1A1RAB9AHTTMPLNPC1
SCHEMBL167820 0.80 RAB9A (0.58) KDM4EALDH1A1NR1H4RAB9AHTT
SCHEMBL10022668 0.80 CYP19A1 (0.62) KDM4EALDH1A1RAB9AGAANPC1
SCHEMBL5048867 0.79 ECE1 (0.42) KDM4EALDH1A1NR1H4RAB9AHTT
SCHEMBL4413970 0.77 KDM4E (0.70) KDM4EALDH1A1NR1H4RAB9AHTT
SCHEMBL24136180 0.76 KDM4E (0.50) KDM4EALDH1A1NR1H4RAB9AHTT
SCHEMBL9829142 0.76 RAB9A (0.55) KDM4EALDH1A1RAB9AHTTPOLB
SCHEMBL3746725 0.76 CSNK2A1 (0.56) KDM4EALDH1A1NR1H4RAB9AHTT
SCHEMBL3613493 0.76 RAB9A (0.63) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2

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-2025082460-A1 DIACYLGLYCEROL KINASE INHIBITOR COMPOUND AND USE THEREOF 上海先祥医药科技有限公司 2025-04-24 WO disclosed