SCHEMBL9864976

SCHEMBL9864976

N=C(NCCCc1c[nH]cn1)NCCSCc1cccs1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
GLS O94925 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
Iodide SCHEMBL10370890 0.99 KMT2A (0.35) KMT2ASMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL9876539 0.83 CYP1A2 (0.38) SMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL9865393 0.82
SCHEMBL7175846 0.82
SCHEMBL9868517 0.82 KMT2A (0.42) KMT2ASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL7180733 0.81 LMNA (0.37) KMT2ASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL9866034 0.80 ALDH1A1 (0.45) KMT2ASMN1; SMN2MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL11041744 0.79 ACHE (0.33) MAPT
SCHEMBL9867335 0.78 EPHX2 (0.35) SMN1; SMN2ALDH1A1HPGD
SCHEMBL7174490 0.78 ALDH1A1 (0.32) ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP claimed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP claimed
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