SCHEMBL20867331

SCHEMBL20867331

CCSc1cc(OC(C)(C)C)cnc1-c1nc2cc(SC(F)(F)F)ccc2o1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ F2RL3 Q96RI0 1/20 0.30

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
SCHEMBL29603696 0.88 UTRN (0.33) UTRNKDM4EALDH1A1TP53MAPT
SCHEMBL20489570 0.88 UTRN (0.33) UTRNKDM4EALDH1A1TP53MAPT
SCHEMBL19942795 0.85 TP53 (0.34) UTRNKDM4EALDH1A1TP53MAPT
SCHEMBL15846613 0.84 UTRN (0.38) UTRNKDM4EALDH1A1TP53MAPT
SCHEMBL29431610 0.84 UTRN (0.38) UTRNKDM4EALDH1A1TP53MAPT
SCHEMBL21553535 0.83 HDAC3 (0.33) UTRNTP53MAPTCASP3RAB9A
SCHEMBL25766299 0.83 TP53 (0.31) UTRNKDM4EALDH1A1TP53MAPT
SCHEMBL21051281 0.82 UTRN (0.33) UTRN
SCHEMBL19302014 0.81 HDAC3 (0.32) UTRN
SCHEMBL30970967 0.81 HDAC3 (0.32) UTRN

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-2019065568-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING AGENT CONTAINING SAME 住友化学株式会社 2019-04-04 — — WO disclosed
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