SCHEMBL11714779

SCHEMBL11714779

CCOC(=O)CCN(CCC#N)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ LTA4H P09960 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL10525189 0.89 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2AALDH1A1ALOX5
SCHEMBL11330158 0.86 USP2 (0.51) SMN1; SMN2MEN1KMT2AHSD17B10USP2
SCHEMBL11718440 0.83 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1ALOX5
SCHEMBL8035941 0.83 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL7451762 0.82 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL9831449 0.81 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1ALOX5
SCHEMBL11800243 0.81 USP2 (0.57) SMN1; SMN2MEN1KMT2AHSD17B10USP2
SCHEMBL11718470 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1ALOX5LTA4HMAPT
SCHEMBL9832157 0.80 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1ALOX5
SCHEMBL2762361 0.80 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1ALOX5

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-4013632-A SYNTHETIC FIBERS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-03-22 — — US disclosed
Send feedback