SCHEMBL9510331

SCHEMBL9510331

CCOC(=O)Oc1cc(C)nn1-c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
KMT2A Q03164 4/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
P2RY12 Q9H244 1/20 0.45
CHRNA7 P36544 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9510379 0.81 KMT2A (0.52) KMT2AHPGDKDM4EMEN1ALDH1A1
SCHEMBL8511661 0.80 KMT2A (0.60) POLBKMT2AHPGDKDM4EMEN1
SCHEMBL31617087 0.80 KMT2A (0.52) POLBKMT2AMEN1ALDH1A1TP53
SCHEMBL28634605 0.77 POLB (0.50) POLBKMT2AHPGDALDH1A1LMNA
SCHEMBL31617053 0.76 KMT2A (0.51) POLBKMT2AMEN1ALDH1A1TP53
SCHEMBL28594274 0.75 NTRK1 (0.56) KMT2AHPGDALDH1A1GAANPC1
SCHEMBL7097815 0.74 MAPT (0.41) POLBKMT2AKDM4EALDH1A1LMNA
SCHEMBL11042738 0.73 SMN1; SMN2 (0.49) KMT2AHPGDKDM4EMEN1ALDH1A1
SCHEMBL3429282 0.73 FAAH (0.49) KMT2AALDH1A1TP53LMNACHRNA7
SCHEMBL3387671 0.73 POLB (0.69) POLBKMT2AHPGDKDM4EMEN1

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
EP-0333131-B1 Plant protective agent based on pyrazolecarboxylic acid derivatives HOECHST AG (DE) 1993-10-27 EP disclosed
EP-0333131-A1 Plant protective agent based on pyrazolecarboxylic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-20 EP disclosed