SCHEMBL6003294

SCHEMBL6003294

[CH2]C(CCCC)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.43
ATP4B P51164 3/20 0.43
HRH3 Q9Y5N1 3/20 0.41
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
COMT P21964 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDC7 O00311 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
DBF4 Q9UBU7 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
SCHEMBL6002435 0.78 ALOX5 (0.45) KDM4ENPC1ALDH1A1LMNACOMT
SCHEMBL5544025 0.76 HRH3 (0.42) ATP4AATP4BHRH3RARARARB
SCHEMBL19196100 0.74 RARA (0.46) HRH3RARARARBRARGNPC1
SCHEMBL3880439 0.71 RARA (0.48) HRH3RARARARBRARGNPC1
SCHEMBL27629310 0.71 DHFR (0.47) ATP4AATP4BHRH3RARARARB
SCHEMBL2091544 0.69 HRH3 (0.46) HRH3RARARARBRARGALDH1A1
SCHEMBL19938082 0.68 RARA (0.48) ATP4AATP4BHRH3RARARARB
SCHEMBL2090545 0.68 HRH3 (0.45) HRH3RARARARBRARGNPC1
SCHEMBL5167355 0.67 CYP17A1 (0.49) HRH3KDM4ESMN1; SMN2
SCHEMBL2093689 0.67 RARA (0.47) HRH3RARARARBRARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed