SCHEMBL20034082

SCHEMBL20034082

CCC(CC)CNC(=O)CCSSc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.39
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
RGS12 O14924 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
SCHEMBL1707182 0.89 HPGD (0.46) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL12221860 0.88 HPGD (0.48) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL564869 0.87 HPGD (0.44) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL10031015 0.86 HPGD (0.51) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL18510178 0.86 HPGD (0.51) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL14655047 0.84 HPGD (0.47) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL13225862 0.84 HPGD (0.55) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL19817596 0.84 HPGD (0.52) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL18519252 0.81 HPGD (0.53) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL14857367 0.81 HPGD (0.53) HPGDALDH1A1SMN1; SMN2RAB9ANPC1

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-9937268-B2 Anti-DLL3 antibody drug conjugates and methods of use ABBVIE STEMCENTRX LLC (US) 2018-04-10 US disclosed