SCHEMBL7844510

SCHEMBL7844510

COc1ccc(C[C@H](Nc2nc3ccc(CNC(=O)CCc4cccnc4)c(C)c3c(=O)o2)C(=O)NC(C)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.40
ELANE P08246 4/20 0.40
KCNK3 O14649 1/20 0.39
KCNH2 Q12809 1/20 0.39
ENPP2 Q13822 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL7840487 0.88 CTRB1 (0.53) CTRB1ELANEALDH1A1KMT2AGPR139
SCHEMBL6507176 0.87 LMNA (0.41) CTRB1LMNAELANEKCNK3KCNH2
SCHEMBL6504922 0.80 MAPT (0.39) CTRB1LMNAELANEENPP2ALDH1A1
SCHEMBL7839987 0.80 CTRB1 (0.46) CTRB1ELANEKMT2A
SCHEMBL7813812 0.78 CTRB1 (0.52) CTRB1LMNAELANEALDH1A1KMT2A
SCHEMBL6503610 0.75 CTRB1 (0.49) CTRB1ELANEALDH1A1KMT2A
SCHEMBL7829580 0.75 ELANE (0.43) CTRB1ELANEALDH1A1KMT2A
SCHEMBL6498129 0.74 ELANE (0.44) CTRB1ELANE
SCHEMBL6498142 0.74 LMNA (0.41) CTRB1LMNAELANEALDH1A1KMT2A
SCHEMBL8659635 0.74 LMNA (0.39) CTRB1LMNAELANEALDH1A1KMT2A

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-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed