SCHEMBL8034075

SCHEMBL8034075

CCCCN1CCN(CCCC)C1=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 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
SCHEMBL8146239 0.91 MEN1 (0.47) KMT2AMEN1ALDH1A1THRBCYP1A2
SCHEMBL20204699 0.82 MEN1 (0.44) KMT2AMEN1ALDH1A1THRBCYP1A2
SCHEMBL18183389 0.82 MEN1 (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1THRB
SCHEMBL9643809 0.79 MEN1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9870379 0.79 MEN1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9242456 0.79 MEN1 (0.46) KMT2AMEN1ALDH1A1HPGDTHRB
SCHEMBL20204676 0.78 MEN1 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL18183396 0.76 MEN1 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL20201643 0.76 MEN1 (0.40) KMT2AMEN1ALDH1A1
SCHEMBL7593545 0.75 MEN1 (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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-6162939-A Method for producing thiochloroformates BASF AKTIENGESELLSCHAFT (DE) 2000-12-19 US disclosed