SCHEMBL22270880

SCHEMBL22270880

CCCc1ccc(CC(Nc2ccc(-c3nccnc3-c3cncnc3)cc2)=C2CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.33
▸ KDR P35968 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ PSMB5 P28074 1/20 0.32
▸ PORCN Q9H237 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 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) LMNATP53MAPTNPC1KDR
SCHEMBL22270537 0.82 MAPT (0.36) LMNATP53MAPTNPC1RAB9A
SCHEMBL22271066 0.80 RORC (0.35) MAPTNAMPT
SCHEMBL22270668 0.79 KDR (0.36) LMNAMAPTNPC1RAB9AALDH1A1
SCHEMBL22271048 0.78 PDGFRB (0.41) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL22270885 0.78 RORC (0.35) LMNATP53MAPTRAB9AALDH1A1
SCHEMBL22270603 0.78 MAPT (0.35) LMNATP53MAPT
SCHEMBL22270671 0.77 RORC (0.39) SMN1; SMN2KDRPSMB5WNT3A
SCHEMBL22270887 0.77 KDM4E (0.40) MAPTALDH1A1SMN1; SMN2TRPV1
SCHEMBL22270601 0.75 KDM4E (0.31) ALDH1A1

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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