SCHEMBL30522572

SCHEMBL30522572

Cc1cc(-c2ccc(N)cc2)c(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.45
▸ DHFR P00374 1/20 0.45
▸ ABL1 P00519 2/20 0.41
▸ TP53 P04637 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PRKCZ Q05513 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
SCHEMBL11254473 1.00 UHRF1 (0.45) UHRF1DHFRABL1TP53ALDH1A1
SCHEMBL30522566 0.81 NOS3 (0.44) UHRF1ABL1ALDH1A1KDM4ENOS3
SCHEMBL11178308 0.80 MAP4K4 (0.54) UHRF1MEN1NPC1RAB9AFYN
SCHEMBL12305117 0.80 CYP2A6 (0.47) UHRF1DHFRABL1TP53ALDH1A1
SCHEMBL11373076 0.78 CYP3A4 (0.50) UHRF1ABL1ALDH1A1MEN1RAB9A
SCHEMBL8954074 0.77 DHFR (0.55) DHFRTP53ALDH1A1MEN1KMT2A
SCHEMBL25294409 0.75 UHRF1 (0.40) UHRF1ALDH1A1NPC1HPGDRAB9A
SCHEMBL6605398 0.75 MAP4K4 (0.51) ABL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL575050 0.74 PTGS2 (0.43) UHRF1ABL1TP53ALDH1A1MEN1
SCHEMBL1256997 0.73 NOS3 (0.52) DHFRABL1TP53ALDH1A1MEN1

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-116547275-A IL-17A modulators 赛诺菲 2023-08-04 — — CN disclosed
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