SCHEMBL8687208

SCHEMBL8687208

O=C1CSC(=O)N1C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 10/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL8692539 0.86 C5AR1 (0.39) TACR1TRPV1MEN1ALDH1A1MAPT
SCHEMBL8687128 0.78 MEN1 (0.38) TACR1TRPV1MEN1ALDH1A1MAPT
SCHEMBL8686707 0.76 TRPV1 (0.37) TRPV1MEN1ALDH1A1MAPTKMT2A
SCHEMBL8686401 0.74 HPGDS (0.35) CYP19A1KDM4EALDH1A1LMNACYP1A2
SCHEMBL8687690 0.74 MEN1 (0.40) TACR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL8687053 0.73 HTR1D (0.33) CYP19A1MEN1ALDH1A1MAPTKMT2A
SCHEMBL8687826 0.71 CTNNB1 (0.39) TACR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL8687897 0.71 KAT2B (0.37) CYP19A1
SCHEMBL8686941 0.69 CYP19A1 (0.33) CYP19A1KDM4EMEN1ALDH1A1LMNA
SCHEMBL8689993 0.62 NLRP3 (0.49) TACR1MAPT

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
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 — — US disclosed
Send feedback