SCHEMBL7467157

SCHEMBL7467157

Cc1cnc(-c2ccc(C(F)(F)F)s2)nc1Oc1cc(C(F)(F)F)nn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 3/20 0.36
TGFBR1 P36897 1/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
GPR119 Q8TDV5 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 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

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
SCHEMBL7247712 0.81 KMT2A (0.52) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL5749124 0.80 KMT2A (0.48) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8710420 0.79 KMT2A (0.46) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8123677 0.79 ADORA2A (0.44) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL7470124 0.79 PPP1CA (0.35) KMT2AALDH1A1TGFBR1GRIN1GRIN2B
SCHEMBL7463803 0.79 ADORA2A (0.41) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL7471091 0.77 ADORA2A (0.41) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL7250718 0.76 ADORA2A (0.55) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL7252765 0.76 KMT2A (0.57) KMT2AADORA2AADORA1ALDH1A1TGFBR1
SCHEMBL8654506 0.76 ADORA2A (0.43) KMT2AADORA2AADORA1ALDH1A1TGFBR1

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