SCHEMBL6010802

SCHEMBL6010802

CC(=O)Nc1cc(Cl)cc2nc(S)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PGK1 P00558 1/20 0.39
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 4/20 0.38
CHUK O15111 1/20 0.37
DYRK1A Q13627 1/20 0.37
FSCN1 Q16658 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAOA P21397 1/20 0.35
ROCK2 O75116 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
SCHEMBL16391312 0.79 MAOB (0.41) RAB9ANPC1POLBCASP3SENP7
SCHEMBL21487058 0.72 NPC1 (0.43) LMNARAB9ANPC1POLBCASP3
SCHEMBL6010774 0.72 AHR (0.36) LMNATHRBPOLBHSD17B10ALDH1A1
SCHEMBL6010882 0.72 ESR1 (0.39) KMT2AMEN1
SCHEMBL6010815 0.70 CHRNB2 (0.39)
SCHEMBL9101380 0.70 FBP1 (0.33)
SCHEMBL16391300 0.69 MAOB (0.36) LMNATHRBCYP1A2MAOAALOX15
SCHEMBL16391287 0.69 GABRA1 (0.40)
SCHEMBL6010848 0.69 ESR1 (0.39) THRBPGK1KDM4EHSD17B10ALDH1A1
SCHEMBL16391333 0.67 ESR1 (0.42) ALDH1A1KMT2AMEN1

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
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed