SCHEMBL22270537

SCHEMBL22270537

CCCc1ccc(CC(Nc2ccc(-c3nccnc3-c3ccccc3F)cc2)=C2CCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL22270563 0.89 WNT3A (0.39) MAPTMEN1KMT2APDE10AKDR
SCHEMBL22271066 0.87 RORC (0.35) MAPT
SCHEMBL22270880 0.82 LMNA (0.37) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18485956 0.79 WNT3A (0.35) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL22270885 0.78 RORC (0.35) MAPTALDH1A1SMN1; SMN2PDE10AKDR
SCHEMBL22270867 0.78 WNT3A (0.32) MAPTSMN1; SMN2TRPV1LMNAWNT3A
SCHEMBL22270671 0.78 RORC (0.39) SMN1; SMN2PDE10AKDRWNT3A
SCHEMBL22270668 0.78 KDR (0.36) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL22271062 0.75 LPAR1 (0.35) KDR
SCHEMBL22271048 0.75 PDGFRB (0.41) MAPTALDH1A1SMN1; SMN2LMNATP53

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-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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