SCHEMBL6877014

SCHEMBL6877014

Cc1cccc(C(C)C)c1NC(=S)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 1/20 0.41
MCHR1 Q99705 5/20 0.40
ADRA2A P08913 4/20 0.38
GLA P06280 1/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CACNA1B Q00975 2/20 0.35
APBA1 Q02410 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL6877017 1.00 KDM4E (0.41) KDM4ELMNASMN1; SMN2ALOX12MCHR1
SCHEMBL6872723 0.92 ALOX12 (0.49) KDM4ELMNASMN1; SMN2ALOX12MCHR1
SCHEMBL6872718 0.92 ALOX12 (0.49) KDM4ELMNASMN1; SMN2ALOX12MCHR1
SCHEMBL6458280 0.90 EPHX1 (0.43) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6458274 0.90 EPHX1 (0.43) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6879660 0.89 MCHR1 (0.40) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6879666 0.89 MCHR1 (0.40) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6878705 0.88 GLA (0.48) KDM4ELMNASMN1; SMN2ALOX12MCHR1
SCHEMBL6878715 0.88 GLA (0.48) KDM4ELMNASMN1; SMN2ALOX12MCHR1
SCHEMBL6878770 0.86 ALDH1A1 (0.45) KDM4ELMNASMN1; SMN2ALOX12MCHR1

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed