SCHEMBL9333330

SCHEMBL9333330

COCC(=O)Nc1nc2ccc(F)cc2s1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.75
NPC1 O15118 6/20 0.75
RAB9A P51151 6/20 0.75
TP53 P04637 4/20 0.75
POLB P06746 1/20 0.69
ALDH1A1 P00352 4/20 0.68
PDPK1 O15530 1/20 0.67
DYRK1A Q13627 1/20 0.67
CSNK1D P48730 1/20 0.67
PTPN1 P18031 1/20 0.63
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
HTT P42858 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TNF P01375 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
NR2F2 P24468 1/20 0.59

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
SCHEMBL9332546 0.86 RAB9A (1.00) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL17776540 0.85 PDPK1 (0.72) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL10936004 0.84 DYRK1A (0.75) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL4405589 0.83 NPC1 (0.63) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL30522062 0.83 PDPK1 (0.68) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL17251987 0.83 PDPK1 (0.68) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL8348837 0.83 PDPK1 (0.68) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL7933342 0.83 PDPK1 (0.68) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL9332424 0.81 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL9332929 0.81 ALDH1A1 (1.00) SMN1; SMN2NPC1RAB9ATP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397169-B1 Novel benzothiazole derivatives TOYO BOSEKI (JP) 1994-04-13 EP claimed
US-5036086-A Novel benzothiazole derivatives TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-07-30 US claimed
EP-0397169-A1 Novel benzothiazole derivatives TOYO BOSEKI KABUSHIKI KAISHA Trading under the name of Toyobo Co., Ltd. (JP) 1990-11-14 EP claimed
EP-0397169-B1 Novel benzothiazole derivatives TOYO BOSEKI (JP) 1994-04-13 EP disclosed
US-5036086-A Novel benzothiazole derivatives TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-07-30 US disclosed
EP-0397169-A1 Novel benzothiazole derivatives TOYO BOSEKI KABUSHIKI KAISHA Trading under the name of Toyobo Co., Ltd. (JP) 1990-11-14 EP disclosed