SCHEMBL6930994

SCHEMBL6930994

C1=CCC(c2ccc3ccccc3n2)=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.46
NPC1 O15118 12/20 0.46
KDM4E B2RXH2 11/20 0.46
ALDH1A1 P00352 8/20 0.46
MAPT P10636 5/20 0.46
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TP53 P04637 3/20 0.46
PKM P14618 3/20 0.46
HPGD P15428 3/20 0.46
HCRTR1 O43613 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
AR P10275 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 9/20 0.44
NFKB1 P19838 2/20 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
SCHEMBL21250798 0.80 RAB9A (0.41) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL4590581 0.77 NPC1 (0.42) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL6235672 0.77 MEN1 (0.36) RAB9AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL170196 0.73 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL29374931 0.73 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL30883993 0.71 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL31243061 0.71 ALDH1A1 (0.63) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL31365172 0.71 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL34463709 0.71 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL10866984 0.71 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370532-A1 METHOD FOR PRODUCING CYCLOPENTADIENE COMPOUNDS Basell Polyolefine GmbH (DE) 2003-12-17 EP disclosed
WO-2002074745-A1 METHOD FOR PRODUCING CYCLOPENTADIENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2002-09-26 WO disclosed