SCHEMBL9309743

SCHEMBL9309743

CCCCCCCCCCCCCCOc1ccc(CC(=O)Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
S1PR2 O95136 1/20 0.56
S1PR1 P21453 1/20 0.56
S1PR3 Q99500 1/20 0.56
LPAR2 Q9HBW0 1/20 0.56
THRA P10827 2/20 0.54
THRB P10828 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
GLA P06280 1/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
CSNK2A1 P68400 2/20 0.51
BACE1 P56817 1/20 0.51
PTPN11 Q06124 2/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL9304941 0.89 PTPN11 (0.62) ATMS1PR2S1PR1S1PR3LPAR2
SCHEMBL9307491 0.86 S1PR2 (0.57) ATMS1PR2S1PR1S1PR3LPAR2
SCHEMBL9306444 0.85 S1PR2 (0.55) S1PR2S1PR1S1PR3LPAR2THRA
SCHEMBL6597498 0.84 RORC (0.54) ATMSMN1; SMN2MEN1NPC1TP53
SCHEMBL5144262 0.83 ATM (0.62) ATMTHRATHRBSMN1; SMN2GLA
SCHEMBL9398842 0.82 SMN1; SMN2 (0.70) ATMS1PR2S1PR1S1PR3LPAR2
SCHEMBL18643845 0.81 SMN1; SMN2 (0.60) ATMS1PR2S1PR1S1PR3LPAR2
SCHEMBL14444189 0.80 SMN1; SMN2 (0.51) ATMS1PR2S1PR1S1PR3LPAR2
SCHEMBL14444188 0.80 SMN1; SMN2 (0.51) ATMS1PR2S1PR1S1PR3LPAR2
SCHEMBL11321553 0.80 THRA (0.67) ATMS1PR2S1PR1S1PR3LPAR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed