SCHEMBL3231973

SCHEMBL3231973

Cc1ccnc(OC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
TP53 P04637 2/20 0.38
SORT1 Q99523 2/20 0.38
PLAU P00749 1/20 0.38
KMO O15229 1/20 0.37
SMN1; SMN2 Q16637 4/20 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
SCHEMBL1270728 0.85 LMNA (0.47) UHRF1CCR1CCR5CCR8MEN1
SCHEMBL11223738 0.83 PLAU (0.44) UHRF1CCR1CCR5CCR8MEN1
SCHEMBL27715437 0.81 NPC1 (0.47) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL246279 0.78 LOXL2 (0.36) CCR1CCR5CCR8MEN1KMT2A
SCHEMBL2921978 0.77 KDM4C (0.41) KDM4EALDH1A1TP53KMOSMN1; SMN2
SCHEMBL10765404 0.77 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2
Water SCHEMBL8053672 0.77 LOXL2 (0.36) CCR1CCR5CCR8MEN1KMT2A
SCHEMBL18917198 0.77 CYP2C19 (0.39) KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14344868 0.76 PLAU (0.44) UHRF1CCR1CCR5CCR8MEN1
SCHEMBL15992556 0.75 TDP1 (0.47) UHRF1CCR1CCR5CCR8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010009847-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, METHOD FOR THE PRODUCTION THEREOF, AND USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 WO disclosed
EP-2147919-A1 Heterocyclic substituted amides, method for their manufacture and their use as herbicides Bayer CropScience Aktiengesellschaft (DE) 2010-01-27 EP disclosed