SCHEMBL7970401

SCHEMBL7970401

CNCCc1cc(NC(=N)c2cccs2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.49
KMT2A Q03164 8/20 0.49
MEN1 O00255 7/20 0.47
ALDH1A1 P00352 6/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
KLK7 P49862 1/20 0.46
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7564080 0.88 KMT2A (0.51) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7600558 0.88 QRFPR (0.47) QRFPRKMT2AMEN1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7563782 0.87 KMT2A (0.50) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7562849 0.86 KMT2A (0.53) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7563822 0.85 KMT2A (0.52) QRFPRKMT2AMEN1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7563160 0.84 KMT2A (0.51) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7602786 0.82 QRFPR (0.48) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7599901 0.82 QRFPR (0.46) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7567184 0.82 QRFPR (0.49) QRFPRKMT2AMEN1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7602396 0.81 QRFPR (0.47) QRFPRKMT2AMEN1ALDH1A1RAB9A

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-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed