SCHEMBL24200445

SCHEMBL24200445

Cc1nn(C)c2c1c1cc(Br)ccc1n2C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.53
ELANE P08246 4/20 0.48
POLB P06746 1/20 0.39
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
DYRK1A Q13627 1/20 0.39
P2RX4 Q99571 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PTGS2 P35354 1/20 0.38
PLAU P00749 1/20 0.38

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
SCHEMBL20138825 0.88 ELANE (0.54) MAPK8ELANEPRNPPPARGRXFP1
SCHEMBL20158832 0.87 MAPK8 (0.49) MAPK8ELANEALDH1A1PTGS2
SCHEMBL24200422 0.86 MAPK8 (0.51) MAPK8ELANEPOLBPRNPPPARG
SCHEMBL20147125 0.85 P2RX4 (0.50) ELANEP2RX4ALDH1A1PTGS2PLAU
SCHEMBL20159077 0.84 LMNA (0.55) ELANEPPARGPTGS2
SCHEMBL20139087 0.76 ELANE (0.53) MAPK8ELANEALDH1A1PTGS2
SCHEMBL20158839 0.75 ELANE (0.42) MAPK8ELANEPRNPPPARGRXFP1
SCHEMBL20138831 0.74 CNR1 (0.43) ELANEPOLBALDH1A1
SCHEMBL12034344 0.73 P2RX4 (0.61) ELANEP2RX4ALDH1A1
SCHEMBL20158841 0.73 ELANE (0.56) ELANEPPARGPTGS2

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-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed