SCHEMBL11801461

SCHEMBL11801461

CCCCCCC(C)c1ccnc(-c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL5973792 0.91 GPR84 (0.38) KDM4ECCR1CCR5CCR8
SCHEMBL5495738 0.90 GPR84 (0.36) KDM4ECCR1CCR5CCR8
SCHEMBL19039501 0.82 KDM4E (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL12386860 0.82 KDM4E (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Chloromethane SCHEMBL6909514 0.82 CYP1A2 (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6514033 0.80 KDM4E (0.47) KDM4EKDM6BKDM4AKDM5CKDM4C
Dipyridyl SCHEMBL28135789 0.78 KDM4E (0.64) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL18879378 0.78 KDM4E (0.38) KDM4E
SCHEMBL174988 0.77 NR1I2 (0.39) KDM4ECCR1CCR5CCR8
SCHEMBL22260647 0.77 GPR84 (0.37) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3931332-A Stabilized hydroformylation reaction systems CHEVRON RESEARCH COMPANY (US) 1976-01-06 US disclosed