SCHEMBL10695569

SCHEMBL10695569

CSc1ccc(CCCC(=O)Cc2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TBXAS1 P24557 9/20 0.48
NAPRT Q6XQN6 1/20 0.47
TRPV1 Q8NER1 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL10695581 0.85 TBXAS1 (0.60) KMT2ATBXAS1NAPRTCYP1A2CYP3A4
SCHEMBL10695456 0.82 KMT2A (0.53) MEN1KMT2ATBXAS1
SCHEMBL1538161 0.78 NAPRT (0.57) TBXAS1NAPRTTRPV1CYP1A2CYP3A4
SCHEMBL9520246 0.75 TBXAS1 (0.62) TBXAS1NAPRTTRPV1TDP1L3MBTL1
SCHEMBL10695814 0.74 MEN1 (0.44) MEN1KMT2ATBXAS1TRPV1TDP1
SCHEMBL7280697 0.74 NAPRT (0.61) KMT2ATBXAS1NAPRTCYP1A2CYP3A4
SCHEMBL3373232 0.74 TBXAS1 (0.55) MEN1KMT2ATBXAS1NAPRTTRPV1
SCHEMBL3253168 0.73 NAPRT (0.74) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL9732407 0.73 TBXAS1 (0.52) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL19578340 0.73 NAPRT (0.62) MEN1KMT2ATBXAS1NAPRTCYP1A2

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
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed