SCHEMBL8566294

SCHEMBL8566294

CNC(=O)c1ccc2nc(C)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.68
NPC1 O15118 12/20 0.68
SMN1; SMN2 Q16637 8/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
RXFP1 Q9HBX9 2/20 0.65
HTT P42858 1/20 0.58
LDHA P00338 1/20 0.57
MAPT P10636 3/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PKM P14618 1/20 0.55
CHRNA7 P36544 1/20 0.54

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
SCHEMBL24052027 0.89 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22850429 0.88 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1261509 0.85 NPC1 (0.75) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6979665 0.83 NPC1 (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17851347 0.83 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1748004 0.83 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL16809339 0.83 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14549421 0.82 NPC1 (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8574737 0.82 DYRK1A (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3733426 0.82 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
WO-2020264187-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS JANETKA JAMES (US) 2020-12-30 WO disclosed