SCHEMBL7843414

SCHEMBL7843414

S=c1[nH]c(-c2cccnc2)ns1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
CYP19A1 P11511 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP2A6 P11509 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
NPY5R Q15761 2/20 0.46
KDM4E B2RXH2 3/20 0.45
LDHA P00338 1/20 0.45
EPHX2 P34913 1/20 0.45
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGDS O60760 2/20 0.43
NPC1 O15118 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL21408740 0.77 BRAF (0.30)
SCHEMBL8008602 0.71 BTK (0.69) BTKALDH1A1CYP2A6CYP1A2CYP3A4
SCHEMBL418286 0.68 CYP2A6 (0.54) BTKALDH1A1CYP2A6CYP1A2CYP3A4
SCHEMBL4016895 0.68 DCUN1D1 (0.63) BTKALDH1A1CYP2A6CYP1A2CYP3A4
SCHEMBL120088 0.67 CYP2A6 (1.00) CYP19A1ALDH1A1CYP2A6CYP1A2CYP3A4
SCHEMBL30473120 0.67 CYP2A6 (1.00) CYP19A1ALDH1A1CYP2A6CYP1A2CYP3A4
SCHEMBL29419014 0.67 CYP2A6 (1.00) CYP19A1ALDH1A1CYP2A6CYP1A2CYP3A4
SCHEMBL2822579 0.67 CYP2A6 (0.48) ALDH1A1CYP2A6CYP1A2CYP3A4KDM4E
SCHEMBL15966811 0.66 HPGD (0.71) ALDH1A1CYP1A2CYP3A4NPY5RKDM4E
SCHEMBL9528886 0.66 ALDH1A1 (0.49) BTKCYP19A1ALDH1A1CYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670836-B1 PYRIDYL-1,2,4-THIADIAZOLES AS PEST-CONTROL AGENTS BAYER AG (DE) 2001-10-04 EP claimed
US-6100402-A Pyridyl-1,2,4-thiadiazoles BAYER AKTIENGESELLSCHAFT (DE) 2000-08-08 US claimed
US-6031104-A Pyridyl-1,2,4-thiadiazoles BAYER AKTIENGESELLSCHAFT (DE) 2000-02-29 US claimed
EP-0670836-A1 PYRIDYL-1,2,4-THIADIAZOLES AS PEST-CONTROL AGENTS BAYER AG (DE) 1995-09-13 EP claimed
WO-1994012496-A1 PYRIDYL-1,2,4-THIADIAZOLES AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1994-06-09 WO claimed
EP-0670836-B1 PYRIDYL-1,2,4-THIADIAZOLES AS PEST-CONTROL AGENTS BAYER AG (DE) 2001-10-04 EP disclosed
EP-0670836-B1 PYRIDYL-1,2,4-THIADIAZOLES AS PEST-CONTROL AGENTS BAYER AG (DE) 2001-10-04 EP disclosed
US-6100402-A Pyridyl-1,2,4-thiadiazoles BAYER AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
US-6100402-A Pyridyl-1,2,4-thiadiazoles BAYER AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
US-6031104-A Pyridyl-1,2,4-thiadiazoles BAYER AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5756523-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed
US-5756523-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed
US-5633267-A FUNGICIDES FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-27 US disclosed
EP-0670836-A1 PYRIDYL-1,2,4-THIADIAZOLES AS PEST-CONTROL AGENTS BAYER AG (DE) 1995-09-13 EP disclosed
EP-0670836-A1 PYRIDYL-1,2,4-THIADIAZOLES AS PEST-CONTROL AGENTS BAYER AG (DE) 1995-09-13 EP disclosed
WO-1994012496-A1 PYRIDYL-1,2,4-THIADIAZOLES AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1994-06-09 WO disclosed
WO-1994012496-A1 PYRIDYL-1,2,4-THIADIAZOLES AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1994-06-09 WO disclosed