SCHEMBL9370773

SCHEMBL9370773

[CH]1CSC(c2cccnc2)N1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRNB2 P17787 7/20 0.47
CHRNA4 P43681 7/20 0.47
CHRNA7 P36544 4/20 0.44
CYP2A6 P11509 3/20 0.43
CYP11B2 P19099 1/20 0.43
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL15902708 0.77 CYP2C19 (0.35) KDM4EALDH1A1CYP2A6CYP2D6CYP2C19
SCHEMBL10638807 0.74 CHRNB2 (0.44) KDM4EALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL25629128 0.74
SCHEMBL8923934 0.72 CHRNB2 (0.56) KDM4EALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL9712965 0.70 CHRNB2 (0.44) KDM4EALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL9876261 0.70 ALDH1A1 (0.51) KDM4EALDH1A1CHRNB2CHRNA4CHRNA7
SCHEMBL27315459 0.68 KDM4E (0.59) KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL10650438 0.68 KDM4E (0.59) KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL27467551 0.67
SCHEMBL8870395 0.67 ALDH1A1 (1.00) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0499987-A1 Platelet activating factor antagonists ABBOTT LABORATORIES (US) 1992-08-26 EP claimed
EP-0574494-A4 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 1994-07-06 EP disclosed
EP-0574494-A1 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-12-22 EP disclosed
EP-0574494-A1 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-12-22 EP disclosed
WO-1992014732-A1 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1992-09-03 WO disclosed
WO-1992014732-A1 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1992-09-03 WO disclosed
EP-0499987-A1 Platelet activating factor antagonists ABBOTT LABORATORIES (US) 1992-08-26 EP disclosed