SCHEMBL7971729

SCHEMBL7971729

COc1ccc(NC(=N)c2cccs2)cc1CN(C)CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.47
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.45
ALDH1A1 P00352 6/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KLK7 P49862 1/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
Hydrochloric Acid SCHEMBL7598799 0.99 QRFPR (0.46) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7599901 0.92 QRFPR (0.46) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7600936 0.90 QRFPR (0.48) QRFPRKMT2AMEN1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7598592 0.89 QRFPR (0.47) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7598787 0.89 KMT2A (0.39) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7597196 0.88 ATM (0.39) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7602422 0.87 QRFPR (0.36) QRFPRKMT2AMEN1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7599078 0.87 ATM (0.38) QRFPRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7598660 0.86 CARM1 (0.44) QRFPRKMT2AMEN1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7599408 0.86 QRFPR (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed