SCHEMBL9601050

SCHEMBL9601050

COC(=O)c1cnn(-c2cccc(F)n2)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 7/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41

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
SCHEMBL10515120 0.86 NPC1 (0.67) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9601484 0.86 IRAK4 (0.43) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9600736 0.85 IRAK4 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10515677 0.85 NPC1 (0.57) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10514991 0.85 NPC1 (0.52) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9600354 0.83 CA1 (0.40) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL2743092 0.79 NPC1 (0.75) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL2743090 0.75 ALDH1A1 (0.72) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL6087909 0.74 MAPT (0.45) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL10556399 0.74 HTT (0.51) NPC1RAB9AALDH1A1MAPTHPGD

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
EP-0318602-B1 PYRAZOLESULFONAMIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND HERBICIDE CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-04-28 EP disclosed
US-4881965-A CONTROLLING WILD OATS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-21 US disclosed
EP-0318602-A1 Pyrazolesulfonamide derivative, process for its production and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-06-07 EP disclosed
EP-0189069-A2 Pyrazolesulfonamide derivative, process for its production and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-30 EP disclosed