SCHEMBL7468786

SCHEMBL7468786

COc1cc(Oc2cc(C(F)(F)F)nn2C)nc(-c2ccc(Cl)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
FUBP1 Q96AE4 1/20 0.37
GAA P10253 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL7471091 0.88 ADORA2A (0.41) KMT2AADORA2AADORA1RAB9ANPC1
SCHEMBL8654443 0.83 KMT2A (0.43) KMT2APTGS1PTGS2ADORA2AADORA1
SCHEMBL7468556 0.77 GAA (0.40) KMT2APTGS1PTGS2FUBP1GAA
SCHEMBL7463803 0.77 ADORA2A (0.41) KMT2APTGS2ADORA2AADORA1RAB9A
SCHEMBL5547806 0.72 KMT2A (0.50) KMT2APTGS1PTGS2ADORA2AADORA1
SCHEMBL8651967 0.72 ADORA2A (0.41) KMT2APTGS1PTGS2ADORA2AADORA1
SCHEMBL8475270 0.72 KMT2A (0.42) KMT2APTGS1PTGS2ADORA2AADORA1
SCHEMBL7953446 0.72 KMT2A (0.50) KMT2APTGS1PTGS2ADORA2AADORA1
SCHEMBL7468799 0.71 ALDH1A1 (0.44) KMT2APTGS1PTGS2ADORA2AADORA1
SCHEMBL8654506 0.70 ADORA2A (0.43) KMT2APTGS2ADORA2AADORA1RAB9A

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
EP-0819690-B1 Herbicidal 6-thienyl and 4-thienyl pyrimidines BASF AG (DE) 2002-10-09 EP claimed
US-5922726-A Herbicidal 6-thienyl pyridines and 4-thienyl pyrimidines AMERICAN CYANAMID COMPANY (US) 1999-07-13 US claimed
EP-0819690-A2 Herbicidal 6-thienyl and 4-thienyl pyrimidines American Cyanamid Company (US) 1998-01-21 EP claimed