SCHEMBL23367305

SCHEMBL23367305

CC(CNC(=O)c1cnn(-c2ccccc2)n1)(NC(=O)NC=O)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
ADAMTS7 Q9UKP4 3/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL23385052 0.75 ADAMTS7 (0.41) HDAC1ADAMTS7NPC1RAB9ANTRK1
SCHEMBL23367473 0.72 HDAC1 (0.49) HDAC1ADAMTS7NPC1RAB9ANTRK1
SCHEMBL23384731 0.68 ADAMTS7 (0.41) HDAC1ADAMTS7NPC1RAB9ANTRK1
SCHEMBL6464483 0.66 HDAC1 (0.55) HDAC1ADAMTS7NPC1RAB9ANTRK1
SCHEMBL23367286 0.65 LMNA (0.41) NPC1RAB9A
SCHEMBL13543694 0.64 P2RX7 (0.46) HDAC1ADAMTS7NPC1RAB9ANTRK1
SCHEMBL29873601 0.63 ADAMTS7 (0.63) HDAC1ADAMTS7
SCHEMBL23354726 0.63 ADAMTS7 (0.63) HDAC1ADAMTS7
SCHEMBL23354853 0.63 ADAMTS7 (0.66) HDAC1ADAMTS7NPC1RAB9A
SCHEMBL23367365 0.63 HDAC1 (0.41) HDAC1ADAMTS7NPC1RAB9ANTRK1

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
EP-3822265-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer AG (DE) 2021-05-19 EP disclosed