SCHEMBL11568973

SCHEMBL11568973

COC(=O)c1c[nH]nc1Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.44
PAK4 O96013 1/20 0.44
CSNK2A2 P19784 1/20 0.44
AKT1 P31749 1/20 0.44
PLK1 P53350 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CXCR2 P25025 1/20 0.44
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
DHODH Q02127 1/20 0.43
NR4A2 P43354 1/20 0.43
CREBBP Q92793 1/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 3/20 0.42
PDE5A O76074 1/20 0.42
ABCC1 P33527 1/20 0.42

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
SCHEMBL28014585 0.85 DHODH (0.54) MAPTALOX15SMN1; SMN2HPGDRAB9A
SCHEMBL11569025 0.83 ALOX5 (0.49) MAPTCSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL14808817 0.83 ZAP70 (0.45) MAPTSMN1; SMN2CXCR2RAB9ANPC1
SCHEMBL418180 0.78 SMN1; SMN2 (0.62) MAPTSMN1; SMN2HPGDNR4A2CREBBP
SCHEMBL7281512 0.75 DHODH (0.71) MAPTALOX15SMN1; SMN2HPGDRAB9A
SCHEMBL28193514 0.75 AKR1C3 (0.47) MAPTSMN1; SMN2RAB9ANPC1DHODH
SCHEMBL12715339 0.74 MAPT (0.54) MAPTALOX15SMN1; SMN2CSNK2A1CXCR2
SCHEMBL28192750 0.74 AKR1C3 (0.52) MAPTSMN1; SMN2CSNK2A1HPGDRAB9A
SCHEMBL10581980 0.73 MAPT (0.66) MAPTALOX15SMN1; SMN2CXCR2HPGD
SCHEMBL28011331 0.73 MAPT (0.44) MAPTALOX15SMN1; SMN2HPGDRAB9A

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
EP-0002180-A1 Substituted 3-aminopyrazoles, herbicides containing them and method for controlling undesirable growth of plants BASF Aktiengesellschaft (DE) 1979-06-13 EP claimed