SCHEMBL7969220

SCHEMBL7969220

NCCc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.61
▸ RAB9A P51151 7/20 0.61
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ PKM P14618 1/20 0.60
▸ CASP3 P42574 2/20 0.52
▸ SENP8 Q96LD8 2/20 0.52
▸ SENP7 Q9BQF6 2/20 0.52
▸ SENP6 Q9GZR1 2/20 0.52
▸ LMNA P02545 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ BCAT2 O15382 1/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50

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
SCHEMBL9235089 0.78 ITGB3 (0.65) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL4441741 0.77 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4254257 0.77 NPC1 (1.00) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30369807 0.77 NPC1 (1.00) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL12757272 0.77 XIAP (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL12218560 0.76 NPC1 (0.69) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3644692 0.76 KCNK3 (0.71) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4250694 0.76 NPC1 (0.71) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8129745 0.75 RAB9A (0.64) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7969218 0.75 NPC1 (0.62) NPC1RAB9AMEN1KMT2AMAPT

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-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 — — US disclosed
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