SCHEMBL4038602

SCHEMBL4038602

COc1ccc(-n2ncc(-c3ccncc3)cc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
PAX8 Q06710 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47
NPBWR1 P48145 3/20 0.45
HIF1A Q16665 1/20 0.45
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
PDE5A O76074 1/20 0.44

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
SCHEMBL1373496 0.73 HTR3A (0.56) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1376583 0.71 HTR3A (0.58)
SCHEMBL29733664 0.71 KDM4E (0.71) MAPTNPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL4094356 0.71 KDM4E (0.71) MAPTNPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL10509392 0.71 ALDH1A1 (0.57) MAPTALDH1A1KMT2ANPC1HTT
SCHEMBL1550263 0.68 PTGS2 (0.52) MAPTALDH1A1KMT2ANPC1HTT
SCHEMBL4193491 0.68 NR3C1 (0.41) ALDH1A1KMT2ANPC1HTTRAB9A
SCHEMBL10079858 0.67 KDM4E (0.49) NPC1RAB9ASMN1; SMN2PIK3CDPIK3CA
SCHEMBL2996492 0.66 MAPK14 (0.56) MAPTALDH1A1KMT2ANPC1HTT
Hydrochloric Acid SCHEMBL5402735 0.65 MAPK14 (0.55) MAPTALDH1A1KMT2ANPC1HTT

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-2009023411-A1 COMPOSITIONS AND METHODS FOR TREATING OR CONTROLLING ANTERIOR- AND POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2009-02-19 WO disclosed