SCHEMBL7973635

SCHEMBL7973635

CCCCCOc1ccc(NC(=N)c2cccs2)cc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
ADRB2 P07550 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
PTPN1 P18031 2/20 0.43
ESRRA P11474 1/20 0.43
TSHR P16473 1/20 0.41
C5 P01031 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
S1PR1 P21453 1/20 0.40
FAAH O00519 1/20 0.40
PTPN2 P17706 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
SCHEMBL7570783 0.85 KMT2A (0.58) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7564313 0.82 KMT2A (0.46) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7563947 0.82 KMT2A (0.47) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL7563379 0.82 KMT2A (0.47) KMT2AMEN1ADRB2SMN1; SMN2MAPT
SCHEMBL7562882 0.81 KMT2A (0.51) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7564327 0.78 QRFPR (0.46) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7564256 0.76 KMT2A (0.62) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7598693 0.74 KMT2A (0.47) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7564016 0.74 KMT2A (0.43) KMT2AMEN1ADRB2SMN1; SMN2MAPT
SCHEMBL10789145 0.73 KMT2A (0.56) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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