SCHEMBL10575752

SCHEMBL10575752

CCC(C)(NC(C)=O)c1ccc(NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.59
▸ NPC1 O15118 4/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ KMT2A Q03164 6/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ LMNA P02545 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ CYP2C9 P11712 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ ABCB1 P08183 2/20 0.51

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
SCHEMBL10575746 0.84 MAPT (0.58) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL10576783 0.81 MAPT (0.60) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL7245174 0.80 NPC1 (0.76) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL11758254 0.74 MAPT (0.63) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL10577145 0.74 ADRB2 (0.48) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6541728 0.74 SMN1; SMN2 (0.72) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL15156377 0.73 KMT2A (0.56) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL3103720 0.72 MAPT (0.58) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6707064 0.72 MAPT (0.77) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL11283118 0.72 MAPT (0.60) MAPTNPC1MAPK1RAB9ASMN1; 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
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
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