SCHEMBL6741892

SCHEMBL6741892

Oc1ccc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
F2 P00734 2/20 0.59
CDK5 Q00535 4/20 0.58
CDK5R1 Q15078 4/20 0.58
PPARG P37231 1/20 0.58
SMAD3 P84022 1/20 0.51
PDGFRB P09619 2/20 0.50
FLT3 P36888 2/20 0.50
F10 P00742 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 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
SCHEMBL4258578 0.89 CDK5 (0.71) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL3019684 0.87 CDK5 (0.56) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL3708235 0.85 NPC1 (0.63) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL28281356 0.82 CYP19A1 (0.60) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL12124985 0.82 NPC1 (0.75) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL26670120 0.81 KDM4E (0.54) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL6534809 0.79 NPC1 (0.71) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL30751167 0.79 NPC1 (0.71) CYP19A1NPC1RAB9AKDM4EMEN1
2-Phenyl-1H-Indole SCHEMBL341378 0.78 NPC1 (1.00) CYP19A1NPC1RAB9AKDM4EMEN1
2-Phenyl-1H-Indole SCHEMBL29363616 0.78 NPC1 (1.00) CYP19A1NPC1RAB9AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101575331-B Preparation method of 5'-((5-MethoxyMethoxy-2- phenylindole-1-yl)methylene)-2'-oxo-3'- methylenetetrahydrofuran SHANGHAI INST MATERIA MEDICA 2011-07-20 CN disclosed
CN-101575331-A Preparation method of 5'-((5-methoxyl-2-phenyl indole-1-yl) methylene)-2'-oxo-3'-tetrahydrofurfuryl SHANGHAI INST MATERIA MEDICA (CN) 2009-11-11 CN disclosed
US-20040086983-A1 Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) 2004-05-06 US disclosed
US-4113736-A NONTOXIC POLYMER STABILIZERS S. A. LABAZ (BE) 1978-09-12 US disclosed