SCHEMBL16554573

SCHEMBL16554573

O=C(Nn1cnc2ccccc21)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ KMT2A Q03164 3/20 0.52
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA3 P07451 2/20 0.48
▸ CA4 P22748 2/20 0.48
▸ CA6 P23280 2/20 0.48
▸ CA5A P35218 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA13 Q8N1Q1 2/20 0.48
▸ CA14 Q9ULX7 2/20 0.48
▸ CA5B Q9Y2D0 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL11206432 0.86 KMT2A (0.59) ALOX15HSD17B10KMT2ANPC1RAB9A
SCHEMBL11207976 0.82 KMT2A (0.62) ALOX15HSD17B10KMT2ANPC1RAB9A
SCHEMBL204727 0.80 ALOX15 (0.64) ALOX15HSD17B10KMT2ANPC1RAB9A
SCHEMBL18797751 0.76 L3MBTL1 (0.56) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL3563360 0.75 KMT2A (0.80) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL11650354 0.75 CA12 (0.58) ALOX15HSD17B10KMT2ANPC1RAB9A
SCHEMBL27644496 0.75 MET (0.48) ALOX15HSD17B10KMT2ANPC1RAB9A
SCHEMBL6954737 0.75 ALOX15 (0.58) ALOX15HSD17B10KMT2ANPC1RAB9A
SCHEMBL707209 0.75 ALOX15 (0.58) ALOX15HSD17B10KMT2ANPC1CA12
SCHEMBL1685055 0.74 HSD17B10 (0.61) ALOX15HSD17B10KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041470-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY Board Of Regents Of the University Of Texas System (US) 2016-07-13 — — EP disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 — — WO disclosed
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