SCHEMBL30451604

SCHEMBL30451604

Cc1ccccc1C(=O)NC(=O)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.59
WNT3A P56704 1/20 0.59
GRM4 Q14833 2/20 0.59
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
AGTR1 P30556 1/20 0.51
OPRK1 P41145 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
TYK2 P29597 1/20 0.50
TLR7 Q9NYK1 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL6450640 0.87 KDM4E (0.60) CTNNB1WNT3AGRM4RAB9ANPC1
SCHEMBL4508472 0.84 CES2 (0.64) GRM4RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL28727383 0.82 CES2 (0.61) GRM4RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3140037 0.82 HPGD (0.64) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL27178215 0.81 NPC1 (0.74) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL27178209 0.81 NPC1 (0.74) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL13161971 0.80 CTNNB1 (0.66) CTNNB1WNT3AGRM4RAB9ANPC1
SCHEMBL8597610 0.79 LMNA (0.61) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL3188677 0.78 ALDH1A1 (0.62) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL32060705 0.77 NPC1 (0.69) GRM4RAB9ANPC1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261562-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2023-06-13 CN disclosed