SCHEMBL9689162

SCHEMBL9689162

Cc1ccccc1-c1nnc2c(C)ccnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CYP17A1 P05093 3/20 0.40
CYP1A2 P05177 2/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
PDE2A O00408 3/20 0.39
PDE10A Q9Y233 3/20 0.39
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL9691055 0.85 HSD11B1 (0.45) MAPTTP53POLBNPC1RAB9A
SCHEMBL9690834 0.85 PDE2A (0.46) POLBNPC1RAB9ASMN1; SMN2GABRG2
SCHEMBL27438824 0.82 DPP4 (0.38) MAPTTP53POLBNPC1RAB9A
SCHEMBL1664963 0.81 SMN1; SMN2 (0.50) MAPTNPC1RAB9ASMN1; SMN2CYP17A1
SCHEMBL9691041 0.80 RAB9A (0.36) MAPTTP53POLBNPC1RAB9A
SCHEMBL9691024 0.80 PDE2A (0.38) MAPTTP53POLBCYP17A1CYP1A2
SCHEMBL27351162 0.74 DPP4 (0.36) NPC1RAB9ASMN1; SMN2PDE2APDE10A
SCHEMBL9690728 0.74 RXFP1 (0.46) MAPTTP53POLBNPC1RAB9A
SCHEMBL24121997 0.74 RXFP1 (0.38) SMN1; SMN2CYP17A1CYP1A2GABRG2GABRB3
SCHEMBL9691174 0.73 CYP17A1 (0.49) MAPTTP53POLBNPC1RAB9A

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-0483027-A2 Triazolopyridazines, methods for their preparation, their use as herbicides and intermediates RHONE-POULENC AGROCHIMIE (FR) 1992-04-29 EP disclosed