SCHEMBL6160664

SCHEMBL6160664

CC(C)c1nc(C(Cc2ccncc2)OC(=O)N(C)N(Cc2ccccc2)Cc2ccccc2)[nH]c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
FNTA P49354 4/20 0.32
FNTB P49356 4/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
NPY5R Q15761 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
ACKR3 P25106 1/20 0.30
MGLL Q99685 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL6162162 0.88
SCHEMBL597335 0.85 MEN1 (0.31) ALDH1A1CYP3A4
SCHEMBL6160251 0.85 ABHD6 (0.33) ABHD6FNTAFNTBROCK2
SCHEMBL6160671 0.85 ALDH1A1 (0.33) FNTAFNTBALDH1A1CYP3A4TMEM97
SCHEMBL7080940 0.83 MEN1 (0.31) ALDH1A1
SCHEMBL3453582 0.82 CDC7 (0.32) ALDH1A1
SCHEMBL6160994 0.82 KDM4E (0.32) ALDH1A1
SCHEMBL6165138 0.80 NAPEPLD (0.30)
SCHEMBL6167207 0.80 GPR142 (0.31) ALDH1A1
SCHEMBL5623524 0.78 ALDH1A1 (0.30) ALDH1A1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed