SCHEMBL9873163

SCHEMBL9873163

NC1(Cc2ccccc2)N=NN=N1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.50
MAOA P21397 9/20 0.50
KDM1A O60341 6/20 0.41
LOXL2 Q9Y4K0 2/20 0.39
CALM1 P0DP23 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTR2A P28223 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
BACE1 P56817 1/20 0.36
RCOR1 Q9UKL0 2/20 0.35

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
SCHEMBL9872861 0.78 MAOB (0.45) MAOBMAOAKDM1ALOXL2CYP2A6
SCHEMBL5282506 0.76 MAOB (0.43) MAOBMAOAKDM1ALOXL2CALM1
SCHEMBL5282094 0.73 OPRL1 (0.42) MAOBMAOAKDM1ALOXL2CALM1
SCHEMBL22032520 0.73 MAOA (0.40) MAOBMAOAKDM1ALOXL2CALM1
SCHEMBL9978691 0.73 MAOB (0.40) MAOBMAOAKDM1ALOXL2CALM1
SCHEMBL5278331 0.73 MAOA (0.40) MAOBMAOAKDM1ALOXL2CALM1
SCHEMBL5284942 0.73 MAOA (0.40) MAOBMAOAKDM1ALOXL2CALM1
SCHEMBL5277481 0.73 ELANE (0.40) MAOBMAOACALM1BACE1
SCHEMBL5274344 0.73 MAOA (0.40) MAOBMAOAKDM1ALOXL2CALM1
SCHEMBL3034490 0.73 MAOA (0.40) MAOBMAOAKDM1ALOXL2CALM1

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-1991017150-A1 TETRAZOLE UREA AND THIOUREA ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-11-14 WO disclosed