SCHEMBL30630648

SCHEMBL30630648

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cnccn4)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM5A P29375 4/20 0.38
▸ SMO Q99835 3/20 0.38
▸ POLB P06746 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PSMB5 P28074 1/20 0.35
▸ CHEK1 O14757 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
SCHEMBL29243429 1.00 TSHR (0.39) TSHRKDM4EALDH1A1KDM5ASMO
SCHEMBL29586158 1.00 TSHR (0.39) TSHRKDM4EALDH1A1KDM5ASMO
SCHEMBL29243798 0.91 MAPT (0.40) TSHRALDH1A1KDM5ASMOGAA
SCHEMBL29584822 0.91 MAPT (0.40) TSHRALDH1A1KDM5ASMOGAA
SCHEMBL29584813 0.90 MEN1 (0.40) TSHRKDM5ASMOGAAUSP2
SCHEMBL29585125 0.90 SMO (0.40) TSHRALDH1A1KDM5ASMOGAA
SCHEMBL29243892 0.90 SMO (0.40) TSHRALDH1A1KDM5ASMOGAA
SCHEMBL29243423 0.90 MEN1 (0.40) TSHRKDM5ASMOGAAUSP2
SCHEMBL29584832 0.89 SMO (0.38) TSHRALDH1A1KDM5ASMOPOLB
SCHEMBL29243565 0.89 SMO (0.38) TSHRALDH1A1KDM5ASMOPOLB

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-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
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