SCHEMBL24405665

SCHEMBL24405665

Cc1ccc(-n2c(=O)n(C)c3ccccc32)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GRM4 Q14833 3/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ HTT P42858 1/20 0.38

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
SCHEMBL30402458 0.81 GRM4 (0.45) TP53ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL15082037 0.76 PGR (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL24405780 0.75 CYP1A2 (0.46) KDM4EGRM4MEN1KMT2APGR
SCHEMBL21463394 0.75 CYP1A2 (0.42) TP53ALDH1A1KDM4ESMN1; SMN2GRM4
SCHEMBL9563481 0.74 NPSR1 (0.51) TP53NPSR1ALDH1A1GAAKDM4E
SCHEMBL21031195 0.74 ALDH1A1 (0.53) TP53NPSR1ALDH1A1GAAKDM4E
SCHEMBL23709224 0.71 HTR7 (0.55) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL29798837 0.70 CYP1A2 (0.55) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL474339 0.70 CYP1A2 (0.55) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL6362809 0.70 PGR (0.68) ALDH1A1KDM4ESMN1; SMN2LMNAPGR

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-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
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