SCHEMBL18717161

SCHEMBL18717161

c1ccc2nc(-c3ccc4c(c3)CCCC4)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.54
▸ RAB9A P51151 10/20 0.54
▸ KDM4E B2RXH2 8/20 0.54
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ MAPT P10636 5/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ NFKB2 Q00653 2/20 0.54
▸ RELA Q04206 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ AR P10275 2/20 0.51
▸ CYP3A4 P08684 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ GMNN O75496 1/20 0.50
▸ PKM P14618 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
SCHEMBL31038194 0.97 NPC1 (0.54) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL20642575 0.82 TDP1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27702707 0.81 NPC1 (0.45) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL34467584 0.77 NPC1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL240431 0.77 NPC1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12112870 0.76 RAB9A (0.80) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6534380 0.76 KMT2A (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2220158 0.75 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4337601 0.75 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17449881 0.75 RAB9A (0.62) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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
EP-2440572-B1 LACTAM-BRIDGED MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES PALATIN TECHNOLOGIES INC (US) 2017-04-05 — — EP disclosed
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