SCHEMBL27645238

SCHEMBL27645238

c1ccc(C2CCN(c3nc4ccccc4s3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.60
NPC1 O15118 9/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 3/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL27644633 0.89 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27666068 0.86 SCD (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14143880 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27645217 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12474738 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL28758328 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27645215 0.81 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27645177 0.81 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7838370 0.80 CCR5 (0.53) RAB9ANPC1MEN1KMT2AHTR1A
SCHEMBL2072963 0.80 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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