SCHEMBL19365733

SCHEMBL19365733

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccc4cn(C)cc4c2)CCCN3C)ccn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.38
▸ GPR142 Q7Z601 1/20 0.36
▸ WNT3A P56704 6/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ CA9 Q16790 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ROCK1 Q13464 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
SCHEMBL19365813 0.86 RPS6KA3 (0.36) TP53WNT3AABL1
SCHEMBL19364861 0.86 NOTUM (0.40) TP53WNT3AALDH1A1MAPT
SCHEMBL19365719 0.83 HTR2C (0.52) TP53KDM4EMEN1MAPTKMT2A
SCHEMBL19365327 0.81 FAAH (0.36) WNT3AGAAABL1
SCHEMBL19364831 0.81 CYP11B2 (0.41) WNT3AABL1
SCHEMBL19365819 0.80 PIK3CA (0.42) WNT3AKMT2A
SCHEMBL19365610 0.79 BRAF (0.42) TP53GPR142WNT3AGAASMN1; SMN2
SCHEMBL19365531 0.79 FGFR4 (0.49) TP53GPR142WNT3AALDH1A1SMN1; SMN2
SCHEMBL17618697 0.78 HRH3 (0.37) GPR142WNT3AKDM4EABL1
SCHEMBL19670571 0.78 NOTUM (0.39) TP53WNT3AKDM4E

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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