SCHEMBL9307850

SCHEMBL9307850

CCCCCCCCCCCCCCOc1ccc(CN(Cc2ccncc2)C(C)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HDAC1 Q13547 1/20 0.51
TP53 P04637 1/20 0.49
TSHR P16473 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
SCHEMBL9305774 0.87 NFKB1 (0.57) LMNANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9306473 0.84 HPGD (0.51) TSHR
Iodide SCHEMBL9307907 0.82
SCHEMBL2187701 0.79 PDK1 (0.46) LMNANFKB1CYP3A4CYP1A2CYP2C9
Iodide SCHEMBL9306448 0.79 TP53 (0.45) TP53
SCHEMBL13711661 0.77 PPARA (0.57) TSHR
SCHEMBL16232351 0.76 NPC1 (0.57) LMNANPC1SMN1; SMN2NFKB1NFKB2
Iodide SCHEMBL9306281 0.76
SCHEMBL13711658 0.76 THRB (0.48) LMNASMN1; SMN2CYP3A4
SCHEMBL9308154 0.76 HSD17B10 (0.52) LMNANPC1SMN1; SMN2NFKB1NFKB2

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