SCHEMBL12912909

SCHEMBL12912909

c1ccc(-c2csc(-c3ccc(-c4scc(-c5ccccc5)c4-c4ccccc4)c4cnccc34)c2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.46
CYP1A2 P05177 2/20 0.46
TNF P01375 1/20 0.44
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
DYRK1A Q13627 3/20 0.38
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
GSK3B P49841 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL12912965 0.89 HASPIN (0.39) CYP17A1CYP1A2TNFMAP3K7TAB1
SCHEMBL12912895 0.77 CKS1B (0.42) CYP17A1CYP1A2KDM4ENPC1LMNA
SCHEMBL6036925 0.74 BACE1 (0.41) DYRK1AALDH1A1LMNAMAPTHPGD
SCHEMBL12912883 0.73 BACE1 (0.36) CYP17A1CYP1A2DYRK1AKDM4EALDH1A1
Phosphine SCHEMBL28718427 0.73 BACE1 (0.41) DYRK1AALDH1A1LMNAMAPTHPGD
SCHEMBL1102751 0.72 TNF (0.54) CYP17A1CYP1A2TNFDYRK1ANOTUM
SCHEMBL12912908 0.72 ALOX5AP (0.38) CYP17A1CYP1A2DYRK1AKDM4ENPC1
SCHEMBL24817308 0.72 ACHE (0.37) CYP17A1CYP1A2DYRK1AKDM4EALDH1A1
SCHEMBL17571196 0.72 TNF (0.58) CYP17A1CYP1A2TNFDYRK1ANOTUM
SCHEMBL20158583 0.72 TNF (0.50) CYP17A1CYP1A2TNFDYRK1ANOTUM

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
US-7871714-B2 Polymer, electroluminescent device, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-01-18 US disclosed
US-7871714-B2 Polymer, electroluminescent device, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-01-18 US disclosed
US-20090102374-A1 POLYMER, ELECTROLUMINESCENT DEVICE, AND LIGHT EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-04-23 US disclosed
US-20090102374-A1 POLYMER, ELECTROLUMINESCENT DEVICE, AND LIGHT EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-04-23 US disclosed