SCHEMBL9475856

SCHEMBL9475856

O=c1[nH]cnc2c1nnn2Cc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.59
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.50
MPO P05164 1/20 0.50
TPO P07202 1/20 0.50
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.46
RAD51 Q06609 1/20 0.45
MET P08581 1/20 0.45
GRM2 Q14416 1/20 0.45

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
SCHEMBL9475698 0.85 GRM2 (0.51) HPGDKMT2AMEN1TSHRPOLB
SCHEMBL30931879 0.83 PDE8B (0.53) HPGDKMT2AMEN1TSHRALDH1A1
SCHEMBL9477367 0.80 ADORA3 (0.46) HPGDGAAKMT2AMEN1TSHR
SCHEMBL9476624 0.79 TSHR (0.61) HPGDPKMKMT2AMEN1TSHR
SCHEMBL9476195 0.77 ADORA3 (0.51) HPGDKMT2AMEN1TSHRPOLB
SCHEMBL21977361 0.77 LMNA (0.69) HPGDGAAPKMKMT2AMEN1
SCHEMBL9476477 0.76 MEN1 (0.62) HPGDGAAPKMKMT2AMEN1
SCHEMBL21127684 0.75 HPRT1 (0.40) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL20224894 0.75 ADORA2A (0.46) HPGDKMT2AALDH1A1
SCHEMBL21977321 0.74 MPO (0.54) HPGDKMT2AMEN1TSHRMPO

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204353-A 3-benzyl-3H-1,2,3-triazolo[4,5-d]pyrimidines, compositions thereof, and method of treating epilepsy therewith CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
EP-0288431-B1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
EP-0288431-A1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1988-10-26 EP disclosed