SCHEMBL4641406

SCHEMBL4641406

COc1ccc(-c2ccc(OC(=O)Nc3ccc4nc(N(C)CCN(C)C)sc4c3)cc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TMPRSS15 P98073 2/20 0.41
WNT3A P56704 1/20 0.41
KDR P35968 1/20 0.41
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
MCHR1 Q99705 1/20 0.40
CTSD P07339 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4643578 0.93 MCHR1 (0.44) MAPTALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL4641593 0.92 MAPT (0.46) MAPTMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL4643663 0.91 ALDH1A1 (0.46) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4641377 0.91 MCHR1 (0.45) TMPRSS15MCHR1CTSD
SCHEMBL5243981 0.90 MAPT (0.47) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4643026 0.90 MCHR1 (0.42) MAPTLMNASMN1; SMN2KDM4EMEN1
SCHEMBL4647202 0.90 CACNA1B (0.44) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4643038 0.88 MCHR1 (0.48) MAPTALDH1A1SMN1; SMN2MEN1HTT
SCHEMBL4645813 0.87 TMPRSS15 (0.41) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL4641601 0.85 MAPT (0.43) MAPTMAPK1LMNASMN1; SMN2KDM4E

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-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed