SCHEMBL28997152

SCHEMBL28997152

N#CCC1CCC(=O)N1c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
MGLL Q99685 1/20 0.39
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
PDE7A Q13946 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL28997281 0.84 NOTUM (0.39) NOTUMMGLLMEN1ALDH1A1KMT2A
SCHEMBL28997288 0.84 MEN1 (0.41) NOTUMMGLLMEN1ALDH1A1KMT2A
SCHEMBL31440006 0.81 NOTUM (0.45) NOTUMP2RX7HPGDMAPK1KMT2A
SCHEMBL28997140 0.81 PTGER2 (0.39) NOTUMP2RX7NPC1ALDH1A1RAB9A
SCHEMBL28997146 0.80 MAPK1 (0.38) NOTUMP2RX7MEN1ALDH1A1MAPK1
SCHEMBL28997141 0.78 RAB9A (0.38) MGLLMEN1ALDH1A1RAB9AKMT2A
SCHEMBL30226199 0.77 MGLL (0.41) MGLLMEN1NPC1ALDH1A1KMT2A
SCHEMBL28997153 0.77 MGLL (0.41) MGLLMEN1NPC1ALDH1A1KMT2A
SCHEMBL28997292 0.72 PTGER2 (0.40) MGLLMEN1NPC1ALDH1A1RAB9A
SCHEMBL28997274 0.72 AR (0.38) NOTUMMGLLP2RX7MEN1ALDH1A1

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-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN disclosed