SCHEMBL11728360

SCHEMBL11728360

NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 4/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9845601 0.98 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL28664942 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL9681285 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL11611884 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL29885176 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL5933663 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL11729050 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL11777675 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL11610721 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL28715000 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTHPGDSMN1; 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-4017299-A Phthalimide derivatives as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1977-04-12 US claimed