SCHEMBL9866356

SCHEMBL9866356

Cc1[nH]c(Cc2ccc(Cl)cc2)nc1CSCCNC(=N)NCCCc1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 3/20 0.33
LMNA P02545 3/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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 0.85 KMT2A (0.42) SMN1; SMN2POLBLMNAKMT2AALDH1A1
SCHEMBL9866369 0.85 HRH2 (0.46) SMN1; SMN2LMNA
SCHEMBL9865116 0.84 HRH2 (0.31) SMN1; SMN2LMNAKMT2ACYP1A2CYP3A4
SCHEMBL9866034 0.80 ALDH1A1 (0.45) SMN1; SMN2POLBLMNAKMT2AALDH1A1
SCHEMBL9866446 0.79 SMN1; SMN2 (0.35) SMN1; SMN2POLBLMNAKMT2AALDH1A1
Impromidine SCHEMBL407158 0.78 SLC47A1 (0.47) SMN1; SMN2LMNAKMT2ACYP1A2CYP3A4
Impromidine SCHEMBL636059 0.77 HRH2 (0.47) SMN1; SMN2LMNAKMT2ACYP1A2CYP3A4
Impromidine SCHEMBL7175042 0.77 HRH2 (0.47) SMN1; SMN2LMNAKMT2ACYP1A2CYP3A4
Impromidine SCHEMBL7177531 0.77 HRH2 (0.47) SMN1; SMN2LMNAKMT2ACYP1A2CYP3A4
SCHEMBL7175108 0.76 SLC47A1 (0.31) 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 1 patent. 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