SCHEMBL15930401

SCHEMBL15930401

Cn1c(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
RAB9A P51151 7/20 0.45
NPC1 O15118 7/20 0.45
KDM4E B2RXH2 7/20 0.45
PKM P14618 6/20 0.45
TP53 P04637 3/20 0.45
HSD17B10 Q99714 3/20 0.45
GAA P10253 3/20 0.45
ALOX15 P16050 2/20 0.45
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL15930394 0.91 HDAC1 (0.41) ALDH1A1RAB9ANPC1KDM4EPKM
SCHEMBL15930391 0.91 HDAC1 (0.39) ALDH1A1RAB9ANPC1KDM4EPKM
SCHEMBL15930307 0.88 ESR1 (0.47) ALDH1A1RAB9AKDM4EHSD17B10MAPT
SCHEMBL15930380 0.88 ESR1 (0.49) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL15930522 0.88 ESR1 (0.49) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL15930388 0.88 ESR1 (0.49) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL15930510 0.88 ESR1 (0.46) ALDH1A1RAB9AKDM4EHSD17B10MAPT
SCHEMBL15930315 0.87 ESR2 (0.51) ALDH1A1RAB9AKDM4EGAAMAPT
SCHEMBL15930377 0.87 KDM4E (0.48) ALDH1A1RAB9ANPC1KDM4ETP53
SCHEMBL15930387 0.87 ALDH1A1 (0.47) ALDH1A1RAB9AKDM4ETP53HSD17B10

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
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed