SCHEMBL7946469

SCHEMBL7946469

CCOC(=O)C1CCSCN1C(=O)c1cccnc1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.61
POLB P06746 4/20 0.44
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 1/20 0.39
CDC25B P30305 1/20 0.39
NR1D1 P20393 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 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
SCHEMBL7955633 0.90 CYP2C19 (0.59) CYP2C19POLBALDH1A1SMN1; SMN2P2RX7
SCHEMBL7953661 0.87 CYP2C19 (0.45) CYP2C19POLBALDH1A1NR1D1KDM4E
SCHEMBL7953694 0.84 SMN1; SMN2 (0.48) CYP2C19POLBALDH1A1SMN1; SMN2CDC25B
SCHEMBL7954837 0.84 CYP2C19 (0.65) CYP2C19POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL10860840 0.78 GAA (0.59) ALDH1A1KDM4EL3MBTL1GAANPC1
SCHEMBL7955525 0.77 SMN1; SMN2 (0.48) CYP2C19POLBALDH1A1SMN1; SMN2CDC25B
SCHEMBL7954849 0.73 POLB (0.51) CYP2C19POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL7589095 0.72 ALDH1A1 (0.52) CYP2C19POLBALDH1A1SMN1; SMN2NR1D1
SCHEMBL7363975 0.71 CYP2C19 (0.52) CYP2C19POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL7946411 0.71 CYP2C19 (0.48) CYP2C19POLBALDH1A1SMN1; SMN2KDM4E

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-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed