SCHEMBL11652256

SCHEMBL11652256

COCCNC(=O)c1cnc(Br)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
HPGD P15428 6/20 0.45
KDM4E B2RXH2 4/20 0.45
ABL1 P00519 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
RIN1 Q13671 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 5/20 0.43
HDAC4 P56524 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43

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
SCHEMBL11651933 0.79 KDM4E (0.46) KDM4ECYP1A2CYP3A4HDAC3HDAC4
SCHEMBL11653068 0.79 KDM4E (0.52) HPGDKDM4ERAB9AL3MBTL1HDAC3
SCHEMBL11652981 0.79 KDM4E (0.52) HPGDKDM4ERAB9AL3MBTL1HDAC3
SCHEMBL11652714 0.79 KDM4E (0.52) HPGDKDM4ERAB9AL3MBTL1HDAC3
SCHEMBL11652618 0.79 KDM4E (0.52) HPGDKDM4ERAB9AL3MBTL1HDAC3
SCHEMBL11652486 0.79 KDM4E (0.52) HPGDKDM4ERAB9AL3MBTL1HDAC3
SCHEMBL22207107 0.78 FPR2 (0.50) RECQLHPGDKDM4EALDH1A1NPC1
SCHEMBL27821876 0.77 HCAR2 (0.45) RECQLHPGDKDM4EABL1CYP1A2
SCHEMBL11649853 0.77 KDM4E (0.53) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL11648634 0.77 GAA (0.47) KDM4EHDAC3HDAC4HDAC1HDAC7

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
US-4089865-A Certain thiazole compounds SYNTEX (U.S.A.) INC. (US) 1978-05-16 US disclosed
US-4001421-A THIAZOLE CARDIOVASCULAR AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-04 US disclosed