SCHEMBL28005248

SCHEMBL28005248

O=C(O)c1nc(Cc2ccccc2)c(Br)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC8 Q9BY41 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40
RNASEH1 O60930 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HNF4A P41235 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 1/20 0.37
P2RX3 P56373 1/20 0.37

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
SCHEMBL15537375 0.82 CDC7 (0.49) SMN1; SMN2KDM4EPOLBNPC1HPGD
SCHEMBL27664851 0.79 ALDH1A1 (0.48) SMN1; SMN2PTGDR2KDM4EPOLBHPGD
SCHEMBL22588269 0.75 ALDH1A1 (0.47) HDAC1HDAC6HDAC8
SCHEMBL15488079 0.73 HCAR2 (0.49) SMN1; SMN2HCAR2PTGDR2P2RX3
SCHEMBL693543 0.71 CDC7 (0.43) SMN1; SMN2PTGDR2KDM4EPOLBNPC1
SCHEMBL19207619 0.71 TSHR (0.56) HDAC6SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL19224495 0.68 LMNA (0.56) SMN1; SMN2KDM4EPOLBNPC1RAB9A
SCHEMBL9555418 0.68 PTGDR2 (0.60) PTGDR2KDM4EPOLBHPGD
SCHEMBL3585289 0.68 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL5329779 0.68 SMN1; SMN2 (0.47) HDAC1HDAC6HDAC8SMN1; SMN2PTGDR2

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
CN-104603118-B Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators of the orphan nuclear receptor ROR γ 菲尼克斯药品股份公司 2017-10-03 CN disclosed
CN-107007597-A It is used as the thiazole of orphan nuclear receptor ROR γ instrumentalities through formamide or sulfonamide substitutions and the pharmaceutical applications of related derivatives 菲尼克斯药品股份公司 2017-08-04 CN disclosed
CN-104603118-A Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators of the orphan nuclear receptor ROR γ PHENEX PHARMACEUTICALS AG 2015-05-06 CN disclosed