SCHEMBL9865848

SCHEMBL9865848

O=C(NC(=NCCCc1c[nH]cn1)NCCSCc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
HRH2 P25021 4/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
CSNK1D P48730 1/20 0.33
PSMB5 P28074 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9865845 0.94 CYP1A2 (0.36) ALDH1A1HPGDCYP1A2SMN1; SMN2LMNA
SCHEMBL10368541 0.94 CYP1A2 (0.36) ALDH1A1HPGDCYP1A2SMN1; SMN2LMNA
SCHEMBL9867649 0.87 LMNA (0.49) ALDH1A1HPGDCYP1A2SMN1; SMN2LMNA
SCHEMBL9866425 0.87 RAB9A (0.42) ALDH1A1HPGDCYP1A2SMN1; SMN2LMNA
SCHEMBL9869252 0.85 PSMB5 (0.48) ALDH1A1HPGDSMN1; SMN2LMNAHRH2
SCHEMBL9866151 0.85 LMNA (0.39) ALDH1A1HPGDSMN1; SMN2LMNAHRH2
SCHEMBL9866501 0.85 PSMB5 (0.48) ALDH1A1HPGDSMN1; SMN2LMNAHRH2
SCHEMBL9867011 0.84 LMNA (0.43) ALDH1A1HPGDCYP1A2SMN1; SMN2LMNA
SCHEMBL9865162 0.84 GAA (0.44) ALDH1A1HPGDSMN1; SMN2LMNAHRH2
SCHEMBL9865910 0.84 KMT2A (0.43) ALDH1A1HPGDCYP1A2SMN1; SMN2LMNA

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