SCHEMBL17833378

SCHEMBL17833378

COCCCCCCn1c(NCc2ccccc2)nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.65
▸ TP53 P04637 5/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ ALDH1A1 P00352 5/20 0.60
▸ MAPK1 P28482 3/20 0.57
▸ GAA P10253 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TSHR P16473 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ HPGD P15428 1/20 0.52

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
SCHEMBL19714481 0.90 SMN1; SMN2 (0.60) MAPTTP53SMN1; SMN2ALDH1A1MAPK1
SCHEMBL17824307 0.88 SMN1; SMN2 (0.58) MAPTTP53SMN1; SMN2ALDH1A1MAPK1
SCHEMBL27898285 0.83 ALDH1A1 (0.83) MAPTTP53SMN1; SMN2ALDH1A1MAPK1
SCHEMBL27898226 0.80 CYP1A2 (0.68) MAPTTP53SMN1; SMN2ALDH1A1MAPK1
SCHEMBL17824285 0.79 DRD2 (0.52) MAPTTP53SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL19714188 0.79 RAB9A (0.61) MAPTTP53SMN1; SMN2ALDH1A1GAA
SCHEMBL19714271 0.79 CYP1A2 (0.59) MAPTTP53SMN1; SMN2ALDH1A1MAPK1
SCHEMBL17824299 0.77 RAB9A (0.53) MAPTTP53SMN1; SMN2ALDH1A1MAPK1
SCHEMBL17824312 0.76 RAB9A (0.64) MAPTTP53SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1170660 0.76 ALDH1A1 (0.86) MAPTSMN1; SMN2ALDH1A1L3MBTL1CYP1A2

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
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 — — WO disclosed
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