SCHEMBL11738005

SCHEMBL11738005

O=C(O)c1cccc2c1[nH]c1cc(C(F)(F)F)ccc12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.64
KIF11 P52732 8/20 0.55
PBRM1 Q86U86 2/20 0.54
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
KMT2A Q03164 1/20 0.52
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
KCNMA1 Q12791 1/20 0.45

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
SCHEMBL11806405 0.81 KDM4E (0.50) MPLKIF11MEN1ALDH1A1KMT2A
SCHEMBL11732624 0.81 PBRM1 (0.54) MPLPBRM1ALDH1A1HPGDCDK4
SCHEMBL27568935 0.80 KIF11 (0.61) MPLKIF11CDK4CCND1CA12
SCHEMBL2933540 0.77 KCNMA1 (0.67) MPLPBRM1MEN1ALDH1A1CYP1A2
SCHEMBL30455267 0.77 PBRM1 (0.78) MPLKIF11PBRM1
SCHEMBL143999 0.77 PBRM1 (0.78) MPLKIF11PBRM1
SCHEMBL29844370 0.77 PBRM1 (0.78) MPLKIF11PBRM1
SCHEMBL7565777 0.75 PBRM1 (0.69) PBRM1MEN1ALDH1A1CYP1A2HPGD
SCHEMBL4137128 0.74 KIF11 (0.56) MPLKIF11CDK4CCND1
SCHEMBL3230702 0.73 PBRM1 (0.71) MPLPBRM1

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-3956295-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1976-05-11 US claimed
US-4057640-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-3956295-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed