SCHEMBL11259784

SCHEMBL11259784

CCc1ccc(CC(=O)CCn2ccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.55
EGLN3 Q9H6Z9 1/20 0.51
QPCT Q16769 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11260419 0.89 TBXAS1 (0.59) TBXAS1EGLN3
SCHEMBL11236348 0.89 CYP19A1 (0.56) TBXAS1EGLN3QPCTALDH1A1
SCHEMBL11256565 0.87 TBXAS1 (0.55) TBXAS1EGLN3
SCHEMBL11255655 0.87 TBXAS1 (0.56) TBXAS1
SCHEMBL11242023 0.86 KMT2A (0.53) TBXAS1EGLN3SMN1; SMN2
SCHEMBL11251579 0.86 CYP2A6 (0.58) TBXAS1EGLN3KDM4E
SCHEMBL11233236 0.86 HMOX1 (0.57) TBXAS1EGLN3
SCHEMBL11231149 0.85 EGLN3 (0.58) TBXAS1EGLN3QPCTSMN1; SMN2
SCHEMBL11240600 0.85 CYP19A1 (0.60) TBXAS1QPCTALDH1A1KDM4E
SCHEMBL11249784 0.83 TBXAS1 (0.65) TBXAS1QPCTALDH1A1KDM4ESMN1; SMN2

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
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed