SCHEMBL9307359

SCHEMBL9307359

CCCCCCCCCCCCCCOc1ccc(CNC(=O)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 1/20 0.67
HDAC3 O15379 5/20 0.64
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
HDAC1 Q13547 2/20 0.62
HDAC2 Q92769 2/20 0.62
HPGD P15428 2/20 0.60
HSD17B10 Q99714 1/20 0.60
PLK1 P53350 1/20 0.58
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
NAAA Q02083 1/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL14128796 0.92 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHDAC3MEN1NPC1
Iodide SCHEMBL9308333 0.85 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHPGDHSD17B10CYP1A2
SCHEMBL1695202 0.85 TP53 (0.60) LMNATP53TSHR
Iodide SCHEMBL9307614 0.84 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL9565606 0.83 FAAH (0.73) NPC1RAB9A
SCHEMBL9308211 0.82 FAAH (0.63) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL27360513 0.82 HDAC3 (0.58) HDAC3HDAC1HDAC2NAAA
SCHEMBL9453351 0.81 NR1H4 (0.73) SMN1; SMN2LMNAMEN1NPC1RAB9A
SCHEMBL6725374 0.81 NR1H4 (0.61) SMN1; SMN2LMNAMEN1NPC1RAB9A
SCHEMBL28827967 0.81 FAAH (0.65) TP53TSHR

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