SCHEMBL7532641

SCHEMBL7532641

C=CC(N)NC(=O)c1ccc2cc3ccccc3cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
JAK1 P23458 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PIN1 Q13526 5/20 0.45
PLAU P00749 2/20 0.42
DEGS1 O15121 1/20 0.42

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
SCHEMBL7765340 0.95 KDM4E (0.53) KDM4EMEN1ALDH1A1EGFRTP53
SCHEMBL7411194 0.81 PTPRC (0.47) MEN1ALDH1A1MAPTPKMHPGD
SCHEMBL4442412 0.79 SLC1A2 (0.54) ALDH1A1MAPTHPGDALOX15KMT2A
SCHEMBL7566579 0.78 TTR (0.51) MEN1ALDH1A1MAPTPKMHPGD
SCHEMBL27568636 0.73 CES2 (0.53) KDM4EMEN1ALDH1A1EGFRTP53
SCHEMBL8232959 0.73 OPRD1 (0.41) KDM4EMEN1ALDH1A1EGFRTP53
SCHEMBL17047324 0.73 ALDH1A1 (0.54) ALDH1A1PIN1NPC1RAB9AHDAC3
SCHEMBL10362855 0.72 HDAC8 (0.64) KDM4EALOX15HSD17B10DEGS1CES2
SCHEMBL9595514 0.71 PIN1 (0.49) KDM4EMEN1ALDH1A1EGFRTP53
SCHEMBL7477122 0.71 NPC1 (0.56) KDM4EMEN1ALDH1A1KMT2APIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239179-B1 SCHIZOPHRENIA, ALZHEIMER*S DISEASE, PARKINSON*S DISEASE, OBSESSIVE COMPULSIVE DISORDER, DRUG ABUSE, AND ANTIDEPRESSANTS; PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2001-05-29 US disclosed
US-6025493-A FOR TREATMENT OF PSYCHOLOGICAL DISORDERS, ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION (US) 2000-02-15 US disclosed
US-5883257-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION (US) 1999-03-16 US disclosed
EP-0888320-A1 NOVEL N-AMINOALKYL-2-ANTHRACENECARBOXAMIDES; NEW DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-07 EP disclosed
US-5703235-A TREATMENT OF SCHIZOPHRENIA, DEPRESSION, ALZHEIMER*S DISEASE, PARKINSON*S DISEASE, DRUG ABUSE AND OBSESSIVE COMPULSIVE DISORDERS NEUROGEN CORPORATION (US) 1997-12-30 US disclosed
US-5703235-A TREATMENT OF SCHIZOPHRENIA, DEPRESSION, ALZHEIMER*S DISEASE, PARKINSON*S DISEASE, DRUG ABUSE AND OBSESSIVE COMPULSIVE DISORDERS NEUROGEN CORPORATION (US) 1997-12-30 US disclosed
WO-1997034884-A1 NOVEL N-AMINOALKYL-2-ANTHRACENECARBOXAMIDES; NEW DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1997-09-25 WO disclosed