SCHEMBL17306801

SCHEMBL17306801

c1ccc(-c2ccc3nc(-c4cc(-c5ccc6c(ccc7ccccc76)c5)cc(-c5ccccn5)c4)nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ DHODH Q02127 1/20 0.38
▸ WHR1 P49842 1/20 0.38
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37

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
SCHEMBL17306799 0.91 KMT2A (0.47) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL17307080 0.90 DHODH (0.43) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL17306699 0.90 DHODH (0.43) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL17306754 0.90 DHODH (0.43) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL17307074 0.89 WHR1 (0.45) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL17306478 0.89 WHR1 (0.45) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL17306475 0.89 DHODH (0.43) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL17306713 0.88 WHR1 (0.42) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL17307083 0.88 DHODH (0.42) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL17307077 0.88 HSD17B10 (0.39) MAPTLMNASMN1; SMN2RAB9ANPC1

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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