SCHEMBL17306500

SCHEMBL17306500

c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc(-c5cc6ccccc6c6ccccc56)c4)nc4ccccc34)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ ATM Q13315 1/20 0.45
▸ TSHR P16473 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ METAP1 P53582 3/20 0.42
▸ CYP11B1 P15538 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17306771 0.94 MEN1 (0.39) KMT2AMEN1ATMTSHRHSD17B10
SCHEMBL17307077 0.93 HSD17B10 (0.39) KMT2AMEN1ATMTSHRHSD17B10
SCHEMBL17306596 0.92 MEN1 (0.41) KMT2AMEN1ATMTSHRHSD17B10
SCHEMBL17306499 0.91 KMT2A (0.54) KMT2AMEN1ATMTSHRHSD17B10
SCHEMBL17306498 0.91 KMT2A (0.54) KMT2AMEN1ATMTSHRHSD17B10
SCHEMBL9958565 0.88 TSHR (0.45) KMT2AMEN1TSHRHSD17B10MAPK1
SCHEMBL17932406 0.88 CYP11B1 (0.43) KMT2AMEN1TSHRHSD17B10MAPK1
SCHEMBL9958605 0.88 CYP11B1 (0.43) KMT2AMEN1TSHRHSD17B10MAPK1
SCHEMBL17306865 0.87 MEN1 (0.39) KMT2AMEN1ATMTSHRHSD17B10
SCHEMBL17306466 0.87 MAPT (0.40) KMT2AMEN1TSHRHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015182769-A1 QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME 東ソー株式会社 2015-12-03 — — WO disclosed
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