SCHEMBL3878065

SCHEMBL3878065

Oc1cccc(Cn2nnc3ccccc32)c1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.80
▸ ATM Q13315 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ BRD4 O60885 1/20 0.56
▸ SLC9A1 P19634 4/20 0.55
▸ GRM2 Q14416 2/20 0.55
▸ MGAM O43451 1/20 0.52
▸ AMY1A P0DUB6 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ SI P14410 1/20 0.52
▸ MGAM2 Q2M2H8 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ PTK2 Q05397 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.48
▸ EGLN3 Q9H6Z9 1/20 0.47

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
SCHEMBL8045378 0.78 KMT2A (0.70) KCNMA1ATMALDH1A1LMNATP53
SCHEMBL20815428 0.78 KCNMA1 (0.64) KCNMA1ATMALDH1A1LMNATP53
SCHEMBL9302790 0.77 HPGD (1.00) KCNMA1ATMALDH1A1LMNATP53
SCHEMBL3552907 0.76 KCNMA1 (0.67) KCNMA1ATMALDH1A1LMNATP53
SCHEMBL9303187 0.76 KCNMA1 (0.67) KCNMA1ATMALDH1A1LMNATP53
SCHEMBL29839046 0.75 KCNMA1 (0.69) KCNMA1ATMALDH1A1LMNATP53
SCHEMBL16398499 0.73 GRM2 (0.75) KCNMA1LMNATP53SLC9A1GRM2
SCHEMBL13896899 0.73 KCNMA1 (0.61) KCNMA1ATMALDH1A1LMNATP53
SCHEMBL2734889 0.72 GRM2 (1.00) KCNMA1ALDH1A1SLC9A1GRM2TDP1
SCHEMBL260406 0.71 SLC9A1 (0.66) KCNMA1ATMTSHRSLC9A1GRM2

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-1010712-B1 Aliphatic thermoplastic polyurethanes, a process for their preparation and their use BAYER MATERIALSCIENCE AG (DE) 2009-10-28 — — EP claimed
Send feedback