SCHEMBL10853279

SCHEMBL10853279

O=C(O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CC/C3=C\c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NME2 P22392 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ BCHE P06276 1/20 0.48

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
SCHEMBL10853295 1.00 ALOX5 (0.52) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL10851904 0.93 MEN1 (0.58) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL10851910 0.93 MEN1 (0.58) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL11083677 0.90 ALOX5 (0.55) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL10851546 0.87 NME2 (0.65) MEN1KMT2ANME2
SCHEMBL10851536 0.87 NME2 (0.65) MEN1KMT2ANME2
SCHEMBL10849487 0.85 KMT2A (0.59) MEN1KMT2ARAB9AMAPTNME2
SCHEMBL10849496 0.85 KMT2A (0.59) MEN1KMT2ARAB9AMAPTNME2
SCHEMBL10851839 0.85 MEN1 (0.66) MEN1KMT2ANME2
SCHEMBL10857176 0.85 MEN1 (0.54) ALOX5MEN1KMT2ANME2

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
US-4579847-A Amino derivatives of benzylidene-pyrrolo[2,1-b]quinazolines useful for treating conditions of allergic origin FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-01 — — US disclosed
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