SCHEMBL9864984

SCHEMBL9864984

CC(CSCc1ccccn1)N=C(NCCCc1c[nH]cn1)NC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL9866363 0.91 SCN5A (0.39) RAB9AALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL10368107 0.91 SCN5A (0.39) RAB9AALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL9866419 0.84 RAB9A (0.42) RAB9AALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9867261 0.83 HRH2 (0.35) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL9864992 0.82 HRH2 (0.40) RAB9AALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9867300 0.81 POLB (0.38) RAB9AKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL9867294 0.81 POLB (0.38) RAB9AKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL9866425 0.81 RAB9A (0.42) RAB9AALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9867255 0.75 ALDH1A1 (0.37) RAB9AALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9865750 0.75 RAB9A (0.43) RAB9AALDH1A1KMT2ASMN1; SMN2MAPT

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
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed