SCHEMBL9865256

SCHEMBL9865256

COc1ccc(CSCCNC(=N)NCCCc2c[nH]cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 5/20 0.44
PKM P14618 1/20 0.38
LMNA P02545 5/20 0.37
GAA P10253 1/20 0.36
ALOX12 P18054 3/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9866034 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL9868517 0.86 KMT2A (0.42) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL9876539 0.85 CYP1A2 (0.38) ALDH1A1SMN1; SMN2LMNAGAAHTT
SCHEMBL9865263 0.84 LMNA (0.41) ALDH1A1SMN1; SMN2MAPTPKMLMNA
SCHEMBL9867267 0.84 LMNA (0.35) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL7175054 0.82 TP53 (0.36) SMN1; SMN2MAPTLMNAGAATP53
SCHEMBL9867335 0.80 EPHX2 (0.35) ALDH1A1SMN1; SMN2PKMLMNA
SCHEMBL7175846 0.80
Impromidine SCHEMBL7171545 0.80 HRH2 (0.32) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9865647 0.80 GAA (0.45) ALDH1A1SMN1; SMN2MAPTLMNAGAA

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 3 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-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP 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