SCHEMBL9198985

SCHEMBL9198985

O=C(Nc1ccc(Cl)cc1)C1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.71
RAB9A P51151 5/20 0.70
NPC1 O15118 2/20 0.70
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
HTT P42858 2/20 0.66
POLB P06746 1/20 0.66
HPGD P15428 1/20 0.66
GAA P10253 1/20 0.65
CYP3A4 P08684 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
EPHX1 P07099 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NAMPT P43490 1/20 0.58
MGLL Q99685 1/20 0.57
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL25298953 0.96 RAB9A (0.70) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL9342656 0.92 KMT2A (0.72) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL125695 0.88 PTPN1 (0.89) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL28656982 0.88 PTPN1 (0.89) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL17730000 0.86 KMT2A (0.64) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL18395563 0.84 KMT2A (0.58) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL13972924 0.84 KMT2A (0.62) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL13552831 0.83 KMT2A (0.65) RAB9ANPC1KMT2AL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL4714884 0.83 KMT2A (0.56) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL23045895 0.83 KMT2A (0.65) PTPN1RAB9ANPC1KMT2AMEN1

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
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 EP disclosed
EP-0661276-A1 Herbicidal phenylsulfamoyl-pyrimidinyl ureas BAYER AG (DE) 1995-07-05 EP disclosed