SCHEMBL9865647

SCHEMBL9865647

N=C(NCCCc1c[nH]cn1)NCCSCc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALOX12 P18054 2/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
NPY1R P25929 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL9868517 0.89 KMT2A (0.42) GAAALOX12ALDH1A1HPGDSMN1; SMN2
SCHEMBL9868656 0.85 TRPV1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9867267 0.84 LMNA (0.35) GAAALOX12ALDH1A1HPGDSMN1; SMN2
SCHEMBL10371006 0.83 ALDH1A1 (0.41) GAAALOX12ALDH1A1HPGDSMN1; SMN2
SCHEMBL9876539 0.83 CYP1A2 (0.38) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9867335 0.83 EPHX2 (0.35) ALDH1A1HPGDSMN1; SMN2LMNAIDO1
SCHEMBL9866034 0.82 ALDH1A1 (0.45) GAAALOX12ALDH1A1HPGDSMN1; SMN2
SCHEMBL7175108 0.80 SLC47A1 (0.31) ALDH1A1
SCHEMBL9865256 0.80 ALDH1A1 (0.45) GAAALOX12ALDH1A1SMN1; SMN2MAPT
SCHEMBL7180733 0.79 LMNA (0.37) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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