SCHEMBL7328271

SCHEMBL7328271

COC(=O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACR P10323 5/20 0.58
HGFAC Q04756 2/20 0.58
PRSS1 P07477 3/20 0.57
KMT2A Q03164 9/20 0.56
MEN1 O00255 6/20 0.56
MAPT P10636 4/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 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
Hydrochloric Acid SCHEMBL7330789 0.98 ACR (0.59) ACRHGFACPRSS1KMT2AMEN1
SCHEMBL10956570 0.94 KMT2A (0.56) ACRHGFACPRSS1KMT2AMEN1
SCHEMBL4066290 0.91 MEN1 (0.62) PRSS1KMT2AMEN1MAPTKDM4E
SCHEMBL3675089 0.90 KMT2A (0.69) ACRPRSS1KMT2AMEN1MAPT
SCHEMBL11316711 0.89 PARP10 (0.61) ACRHGFACPRSS1KMT2AMEN1
Hydrochloric Acid SCHEMBL1186104 0.89 MEN1 (0.61) PRSS1KMT2AMEN1MAPTKDM4E
Hydrochloric Acid SCHEMBL7321119 0.88 PRSS1 (0.70) ACRPRSS1KMT2AMEN1MAPT
SCHEMBL11569991 0.88 KMT2A (0.54) ACRHGFACPRSS1KMT2AMEN1
SCHEMBL11313701 0.87 KMT2A (0.54) ACRHGFACPRSS1KMT2AMEN1
SCHEMBL27671251 0.86 PRSS1 (0.62) ACRHGFACPRSS1KMT2AMEN1

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-4423069-A Contraceptive method UNIVERSITY OF ILLINOIS FOUNDATION (US) 1983-12-27 US claimed