SCHEMBL3660171

SCHEMBL3660171

O=C(O)Nc1cccc(-c2cncs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.48
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
JAK3 P52333 1/20 0.45
CD38 P28907 2/20 0.45
MGLL Q99685 1/20 0.45
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.43
RET P07949 1/20 0.43
HDAC1 Q13547 5/20 0.43
SYK P43405 1/20 0.42
EGFR P00533 1/20 0.42
DYRK1A Q13627 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 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
SCHEMBL18797672 0.87 NQO2 (0.61) NQO2BRD4CREBBPJAK3KMT2A
SCHEMBL20557909 0.81 CNR1 (0.67) CNR1
SCHEMBL30469245 0.81 CNR1 (0.67) CNR1
SCHEMBL31125568 0.77 KMO (0.55) HDAC1DYRK1ALMNAHDAC6
SCHEMBL942184 0.77 KMO (0.55) HDAC1DYRK1ALMNAHDAC6
SCHEMBL13994012 0.76 CD38 (0.52) BRD4CREBBPJAK3CD38RET
SCHEMBL48894 0.75 DYRK1A (0.55) CD38DYRK1ALMNAHDAC4
SCHEMBL13996617 0.75 CD38 (0.53) BRD4CREBBPCD38RETEGFR
SCHEMBL29684553 0.74 KMT2A (0.64) MGLLKMT2AHDAC1LMNAHTT
SCHEMBL4742992 0.74 ALDH1A1 (0.49) CD38KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142521-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP claimed
WO-2008134693-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 WO claimed
EP-2142521-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
WO-2008134693-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed