SCHEMBL9690728

SCHEMBL9690728

Cc1ccc(-c2nnc3c(C)ccnn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.46
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
APAF1 O14727 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL1664963 0.86 SMN1; SMN2 (0.50) RXFP1MAPTTHRBALDH1A1KDM4E
SCHEMBL9689145 0.83 TP53 (0.35) RXFP1MAPTALDH1A1KDM4ETP53
SCHEMBL27438823 0.82 HRH3 (0.38) RXFP1HPGDSMN1; SMN2APAF1RECQL
SCHEMBL9691174 0.81 CYP17A1 (0.49) MAPTALDH1A1MAPK1GABRA1GABRG2
SCHEMBL9690979 0.80 MAPT (0.43) RXFP1MAPTTHRBALDH1A1KDM4E
SCHEMBL9691041 0.78 RAB9A (0.36) MAPTALDH1A1KDM4ETP53POLB
SCHEMBL9690785 0.78 DGAT1 (0.46) MAPTALDH1A1MAPK1GABRA1GABRG2
SCHEMBL24121997 0.75 RXFP1 (0.38) RXFP1MAPK1GABRA1GABRG2GABRB3
SCHEMBL4296654 0.72 NOS3 (0.33)
SCHEMBL9690712 0.70 MAPT (0.43) MAPTALDH1A1KDM4EGABRA1GABRG2

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