SCHEMBL11283118

SCHEMBL11283118

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.60
▸ LMNA P02545 2/20 0.60
▸ NPC1 O15118 4/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ ABCB1 P08183 2/20 0.52
▸ ABCC1 P33527 1/20 0.52
▸ CYP2C9 P11712 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.50
▸ HCAR3 P49019 1/20 0.49
▸ F10 P00742 1/20 0.48

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
SCHEMBL9781420 0.89 MAPT (0.49) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL11758254 0.82 MAPT (0.63) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL9781450 0.78 LMNA (0.52) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9733728 0.76 ALDH1A1 (0.51) LMNASMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL6541728 0.75 SMN1; SMN2 (0.72) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL28644813 0.74 KMT2A (0.58) MAPTKMT2AMEN1HCAR3
SCHEMBL7245174 0.74 NPC1 (0.76) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL6707064 0.73 MAPT (0.77) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL10575752 0.72 MAPT (0.59) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL10575746 0.72 MAPT (0.58) MAPTLMNANPC1RAB9AMAPK1

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-4361563-A CARDIOTONIC, ANTITHROMBOTIC DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-11-30 — — US disclosed
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