SCHEMBL9494446

SCHEMBL9494446

O=C(O)c1ccc(CNc2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.59
HDAC1 Q13547 8/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
NAPRT Q6XQN6 1/20 0.53
HDAC3 O15379 1/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
F2 P00734 2/20 0.51
PRSS1 P07477 1/20 0.49

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
SCHEMBL2636196 0.93 NAMPT (0.68) NAMPTHDAC1L3MBTL1KMT2AMEN1
SCHEMBL4418236 0.87 CA1 (0.59) HDAC1L3MBTL1KMT2AALDH1A1POLB
SCHEMBL5211384 0.84 ALDH1A1 (0.65) HDAC1L3MBTL1KMT2AMEN1HDAC3
SCHEMBL19242051 0.83 F2 (0.61) HDAC1ALDH1A1HSD17B10F2PRSS1
SCHEMBL11082171 0.81 RAB9A (0.63) NAMPTHDAC1L3MBTL1ALDH1A1POLB
SCHEMBL27160273 0.81 NAMPT (0.89) NAMPTKMT2A
SCHEMBL11246349 0.81 CA1 (0.69) HDAC1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL1446643 0.80 CA1 (0.70) HDAC1L3MBTL1HDAC3ALDH1A1POLB
SCHEMBL4562716 0.79 TPMT (0.59) HDAC1L3MBTL1KMT2AHDAC3ALDH1A1
SCHEMBL16550429 0.79 FFAR1 (0.67) L3MBTL1KMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US claimed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP claimed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP disclosed