SCHEMBL24015507

SCHEMBL24015507

CC(=O)NC1CCCc2c1cnn2C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 9/20 0.48
TNF P01375 7/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.47
NR2F2 P24468 4/20 0.47
NOD2 Q9HC29 2/20 0.47
GALR3 O60755 2/20 0.47
POLB P06746 1/20 0.44
DHODH Q02127 1/20 0.44

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
SCHEMBL4572408 0.80 SIGMAR1 (0.45) NOD1TNFNPC1RAB9AGFER
SCHEMBL31622374 0.76 GFER (0.46) NOD1TNFNPC1RAB9AGFER
SCHEMBL15426200 0.76 DHODH (0.61) NOD1TNFNPC1RAB9AGFER
SCHEMBL14637660 0.75 SIGMAR1 (0.43) NOD1TNFNPC1RAB9AGFER
SCHEMBL14637434 0.74 PLK1 (0.39) NOD1TNFNPC1RAB9AGFER
SCHEMBL15905254 0.73 SIGMAR1 (0.44) NOD1TNFNPC1RAB9AGFER
SCHEMBL18487239 0.70 SIGMAR1 (0.44) NOD1TNFNPC1RAB9AGFER
SCHEMBL5053533 0.69 MAPK1 (0.49) DHODH
SCHEMBL3312480 0.69 MAPK1 (0.49) DHODH
SCHEMBL5051427 0.69 ALDH1A1 (0.53) KMT2APOLB

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
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed