SCHEMBL22271048

SCHEMBL22271048

CCCc1ccc(CC(Nc2ccc(-c3nccnc3N3CCN(C(C)=O)CC3)cc2)=C2CCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 2/20 0.41
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ AOC3 Q16853 3/20 0.38
▸ WNT3A P56704 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22270603 0.84 MAPT (0.35) PDGFRBMAPTLMNATP53KDM4E
SCHEMBL22270563 0.80 WNT3A (0.39) MAPTLMNATP53WNT3AKDM4E
SCHEMBL22270880 0.78 LMNA (0.37) MAPTLMNATP53WNT3AALDH1A1
SCHEMBL22270537 0.75 MAPT (0.36) MAPTLMNATP53WNT3AALDH1A1
SCHEMBL19205622 0.74 WNT3A (0.46) AOC3WNT3A
SCHEMBL22271066 0.72 RORC (0.35) MAPT
SCHEMBL22270885 0.72 RORC (0.35) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL22270887 0.71 KDM4E (0.40) MAPTKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL22270668 0.71 KDR (0.36) MAPTLMNAWNT3AALDH1A1SMN1; SMN2
SCHEMBL22270671 0.71 RORC (0.39) WNT3AHTTSMN1; SMN2

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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