SCHEMBL9762787

SCHEMBL9762787

[CH](Oc1ccncc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.44
CYP19A1 P11511 4/20 0.44
NOTUM Q6P988 1/20 0.41
CYP11B1 P15538 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL536918 0.84 TSHR (0.43) ALDH1A1TRPA1
SCHEMBL9423581 0.78 CYP11B2 (0.52) CYP11B2CYP19A1CYP11B1ALDH1A1MAPT
SCHEMBL28821314 0.77 TDP1 (0.44) ALDH1A1NPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL28821371 0.77 NFE2L2 (0.47) CYP11B2CYP11B1NPC1RAB9ACYP1A2
SCHEMBL5545232 0.74 PPARG (0.47) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9278742 0.74 LTA4H (0.52) CYP19A1ALDH1A1MAPTSLC6A2SLC6A3
SCHEMBL8695868 0.74 PPARG (0.47) MAPTCYP1A2HPGDCYP1B1TRPA1
SCHEMBL5546634 0.74 TRPA1 (0.63) ALDH1A1MAPTCYP1A2KDM4ECYP3A4
SCHEMBL4179961 0.74 NFE2L2 (0.52) ALDH1A1MAPTCYP1A2CYP2D6HPGD
SCHEMBL28821435 0.74 CYP11B1 (0.42) CYP11B2CYP19A1CYP11B1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-5064846-A Heterocyclic insecticides ICI AMERICAS INC. (US) 1991-11-12 US disclosed
US-4994473-A For plants ICI AMERICAS INC. (US) 1991-02-19 US disclosed
US-4992453-A Certain thioimidate and amidine insecticides ICI AMERICAS INC. (US) 1991-02-12 US disclosed
US-4931448-A Thiomidate insecticides ICI AMERICAS INC. (US) 1990-06-05 US disclosed
EP-0317266-A2 Novel thioimidate and amidine insecticides ICI AMERICAS INC. (US) 1989-05-24 EP disclosed
EP-0317259-A2 Heterocyclic insecticides ICI AMERICAS INC. (US) 1989-05-24 EP disclosed