SCHEMBL31220108

SCHEMBL31220108

Cc1ccc(C)n1-c1nc2cc(CO)ccc2n1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
RPS6KA5 O75582 1/20 0.41
KDM4E B2RXH2 4/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPT P10636 2/20 0.36
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
GRM2 Q14416 1/20 0.36
KMT2A Q03164 1/20 0.35
KLKB1 P03952 1/20 0.34
CTSB P07858 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL25171828 1.00 HSD17B10 (0.42) HSD17B10RPS6KA5KDM4ERAB9ANPC1
SCHEMBL553989 0.81 RAB9A (0.56) HSD17B10RPS6KA5KDM4ERAB9ANPC1
SCHEMBL12730928 0.76 HSD17B10 (0.45) HSD17B10RPS6KA5KDM4ERAB9ANPC1
SCHEMBL3438004 0.75 RPS6KA5 (0.43) HSD17B10RPS6KA5KDM4ERAB9ANPC1
SCHEMBL19763366 0.75 CA12 (0.48) HSD17B10RPS6KA5KDM4ERAB9ANPC1
SCHEMBL25171876 0.74 NSD2 (0.34) HSD17B10KDM4EALDH1A1TP53
SCHEMBL31220245 0.74 NSD2 (0.34) HSD17B10KDM4EALDH1A1TP53
SCHEMBL25168439 0.73 CYP2A6 (0.44) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL15000600 0.73 HSD17B10 (0.42) HSD17B10RPS6KA5KDM4ERAB9ANPC1
SCHEMBL31220344 0.73 CYP2A6 (0.44) KDM4ERAB9ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974035-A 2-Aminoimidazole derivatives as PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-11-15 CN disclosed
EP-4426690-A2 2-AMINO IMIDAZOLE DERIVATIVES AS PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-09-11 EP disclosed