SCHEMBL29688397

SCHEMBL29688397

Cc1cnc(N2CCN(C(=O)c3ccc(C4(C(C)(C)C)NC(=O)NC4=O)nc3)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADAMTS5 Q9UNA0 3/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ADAM17 P78536 2/20 0.34
CRBN Q96SW2 1/20 0.34
CFTR P13569 1/20 0.34
POLB P06746 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL20135313 1.00 HPGD (0.38) HPGDALDH1A1MAPK1MEN1CYP1A2
SCHEMBL20135515 0.89 ALDH1A1 (0.40) ALDH1A1MAPK1MEN1CYP1A2CYP2C9
SCHEMBL29688956 0.89 ALDH1A1 (0.40) ALDH1A1MAPK1MEN1CYP1A2CYP2C9
SCHEMBL20135045 0.84 LMNA (0.44) ALDH1A1MEN1CYP2C19KMT2AKDM4E
SCHEMBL29689005 0.84 LMNA (0.44) ALDH1A1MEN1CYP2C19KMT2AKDM4E
SCHEMBL20135490 0.83 MEN1 (0.41) ALDH1A1MAPK1MEN1CYP1A2CYP2C9
SCHEMBL20135021 0.82 ALDH1A1 (0.38) HPGDALDH1A1MAPK1MEN1CYP1A2
SCHEMBL20135719 0.82 TDP1 (0.37) ALDH1A1KDM4ELMNAHTTADAMTS5
SCHEMBL29688395 0.82 TDP1 (0.37) ALDH1A1KDM4ELMNAHTTADAMTS5
SCHEMBL20135076 0.80 ADAM17 (0.37) ALDH1A1MAPK1MEN1CYP1A2CYP2C9

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
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed