SCHEMBL21241297

SCHEMBL21241297

Cc1ccc(NC(=O)OC(C)C)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
MAPT P10636 1/20 0.62
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
ATM Q13315 1/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 3/20 0.48
TP53 P04637 2/20 0.48
GLA P06280 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47

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
SCHEMBL2056409 0.83 RAB9A (0.70) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL11841419 0.83 PTK2 (0.61) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL11840192 0.83 RAB9A (0.52) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL4563194 0.80 MAPK1 (0.51) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL9891790 0.78 RAB9A (0.68) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL23201181 0.77 RAB9A (0.62) RAB9AMAPTKDM4EALDH1A1NPC1
SCHEMBL1126145 0.77 RAB9A (0.62) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL2636192 0.77 RAB9A (0.78) RAB9AMAPTKDM4EALDH1A1NPC1
SCHEMBL839860 0.77 RAB9A (0.66) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL81867 0.76 RAB9A (0.55) RAB9AMAPTKDM4EALDH1A1HPGD

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
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed