SCHEMBL7713711

SCHEMBL7713711

CNC(=O)C(=NOC)c1ccccc1CON=C(C)C(=NOC)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.42
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
PTGS2 P35354 1/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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
SCHEMBL7713710 1.00 HIF1A (0.42) HIF1ARAB9AGAASMN1; SMN2CYP1A2
SCHEMBL17937978 1.00 HIF1A (0.42) HIF1ARAB9AGAASMN1; SMN2CYP1A2
SCHEMBL828435 0.91 HIF1A (0.47) HIF1ARAB9ALMNAPTGS2NPC1
SCHEMBL13148668 0.91 HIF1A (0.47) HIF1ARAB9ALMNAPTGS2NPC1
SCHEMBL828434 0.91 HIF1A (0.47) HIF1ARAB9ALMNAPTGS2NPC1
SCHEMBL17937974 0.91 HIF1A (0.47) HIF1ARAB9ALMNAPTGS2NPC1
SCHEMBL7171770 0.91 HIF1A (0.43) HIF1ARAB9AKDM4ELMNAPTGS2
SCHEMBL7171768 0.91 HIF1A (0.43) HIF1ARAB9AKDM4ELMNAPTGS2
SCHEMBL7716053 0.90 HIF1A (0.48) HIF1ARAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL7716055 0.90 HIF1A (0.48) HIF1ARAB9ASMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO claimed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed