SCHEMBL9767790

SCHEMBL9767790

O=c1oc2cc(-c3cc[nH]n3)ccc2cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
MIF P14174 5/20 0.56
RAB9A P51151 8/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MAOB P27338 2/20 0.55
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
GLA P06280 3/20 0.51
GAA P10253 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ESR2 Q92731 2/20 0.48
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
ESR1 P03372 1/20 0.47
GAPDH P04406 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3377170 0.79 MIF (0.58) NPC1MIFRAB9AKDM4EALDH1A1
SCHEMBL5921545 0.78 GPR35 (0.56) NPC1MIFRAB9AKDM4EALDH1A1
SCHEMBL27125498 0.78 NPC1 (0.56) NPC1MIFRAB9AKDM4EALDH1A1
SCHEMBL11881599 0.76 CYP19A1 (0.54) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL12304251 0.76 NPC1 (0.54) NPC1MIFRAB9AKDM4EALDH1A1
SCHEMBL11686365 0.74 NPC1 (0.49) NPC1MIFRAB9AKDM4EALDH1A1
SCHEMBL3277676 0.74 NPC1 (0.58) NPC1MIFRAB9AKDM4EALDH1A1
SCHEMBL2633294 0.74 NPC1 (0.58) NPC1MIFRAB9AKDM4EALDH1A1
SCHEMBL11686369 0.73 NPC1 (0.51) NPC1MIFRAB9AKDM4EALDH1A1
SCHEMBL11685698 0.73 MIF (0.51) NPC1MIFRAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030917-B2 OPTICAL BRIGHTENERS FROM BISTYRYL BENZENE, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1991-03-20 EP disclosed
US-5001253-A Fluorescent brighteners consisting of bis-styrylbenzene compounds, a process for their preparation and their use CIBA-GEIGY CORPORATION (US) 1991-03-19 US disclosed
US-4785128-A Process for the preparation of bis-styrylbenzenes CIBA-GEIGY CORPORATION (US) 1988-11-15 US disclosed
US-4778623-A Fluorescent brighteners consisting of bis-styrylbenzene compounds, a process for their preparation and their use CIBA-GEIGY CORPORATION (US) 1988-10-18 US disclosed
EP-0030917-B1 OPTICAL BRIGHTENERS FROM BISTYRYL BENZENE, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1985-01-23 EP disclosed
EP-0030917-A2 Optical brighteners from bistyryl benzene, process for their preparation and their use CIBA-GEIGY AG (CH) 1981-06-24 EP disclosed