SCHEMBL27645249

SCHEMBL27645249

Clc1ccc(CN2CCN(c3[c]c4ncsc4cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 1/20 0.42
DRD4 P21917 3/20 0.41
LSS P48449 1/20 0.41
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 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
SCHEMBL5013395 0.75 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4ESIGMAR1
SCHEMBL5013401 0.72 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4ESIGMAR1
SCHEMBL24283332 0.68 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EDRD4
SCHEMBL6030916 0.66 MAPT (0.83) MEN1KMT2AALDH1A1KDM4ESIGMAR1
SCHEMBL10923734 0.65 SIGMAR1 (0.60) MEN1KMT2AALDH1A1KDM4ESIGMAR1
SCHEMBL7937990 0.65 ALDH1A1 (0.95) ALDH1A1KDM4ESIGMAR1LSSSMN1; SMN2
SCHEMBL23851111 0.65 ALDH1A1 (0.87) MEN1KMT2AALDH1A1KDM4ESIGMAR1
Hydrochloric Acid SCHEMBL6030550 0.64 MAPT (0.81) MEN1KMT2AALDH1A1KDM4ESIGMAR1
SCHEMBL27666181 0.63 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTDRD4DRD2
SCHEMBL2095961 0.63 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ESIGMAR1

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed