SCHEMBL9726116

SCHEMBL9726116

O=C(CBr)N1CCSc2ccc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.50
MAPT P10636 5/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
HSD17B3 P37058 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
PPARG P37231 1/20 0.43
RAB9A P51151 1/20 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
SCHEMBL7413168 0.71 DRD4 (0.59) DRD4MAPTTP53LMNAHPGD
SCHEMBL27467932 0.70 CYP1A2 (0.64) DRD4MAPTTP53CYP1A2CYP2C9
SCHEMBL11717955 0.70 HDAC1 (0.57) DRD4MAPTLMNAHSD17B3HPGD
SCHEMBL499384 0.69 DRD2 (0.42) DRD4MAPTTP53LMNAL3MBTL1
SCHEMBL19888977 0.69 NOTUM (0.65) DRD4MAPTTP53LMNAHPGD
SCHEMBL8895360 0.66 NOTUM (0.68) DRD4MAPTMEN1KMT2ALMNA
SCHEMBL25937664 0.66 NOTUM (0.65) DRD4MAPTTP53LMNAHPGD
SCHEMBL1999173 0.66 KDM4E (0.55) MAPTTP53LMNAHPGDL3MBTL1
SCHEMBL1995486 0.66 KDM4E (0.55) MAPTTP53MEN1KMT2ALMNA
SCHEMBL4568001 0.65 MAPT (0.51) MAPTTP53L3MBTL1ALDH1A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5141935-A Dihydrobenz thiazine derivative and microorganism control agent UBE INDUSTRIES, LTD. (JP) 1992-08-25 US claimed
JP-2101068-A None JP disclosed
US-5141935-A Dihydrobenz thiazine derivative and microorganism control agent UBE INDUSTRIES, LTD. (JP) 1992-08-25 US disclosed
JP-H02101068-A BENZOXA(OR THIA)ZINE DERIVATIVE AND MICROORGANISM CONTROLLING AGENT UBE IND LTD 1990-04-12 JP disclosed