SCHEMBL7406275

SCHEMBL7406275

COC(=O)c1cc(OCCOCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
BACE1 P56817 1/20 0.45
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
RAB9A P51151 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HPGD P15428 1/20 0.42
SIRT6 Q8N6T7 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
SCHEMBL12763816 0.90 MEN1 (0.56) TDP1MEN1KMT2AMAPTBACE1
SCHEMBL7407827 0.89 CTSV (0.49) MEN1KMT2AMAPTBACE1PKM
SCHEMBL268658 0.83 TDP1 (0.55) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL7398816 0.83 SMN1; SMN2 (0.53) MEN1KMT2AMAPTBACE1PKM
SCHEMBL26426649 0.81 KAT6A (0.48) MAPTRAB9AHPGD
SCHEMBL29032428 0.81 MAOB (0.58) MAPTL3MBTL1RAB9AHPGD
SCHEMBL214946 0.81 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7402906 0.81 BACE1 (0.43) MEN1KMT2AMAPTBACE1PKM
SCHEMBL8381526 0.81 L3MBTL1 (0.58) TDP1MEN1KMT2AMAPTBACE1
SCHEMBL4255397 0.81 TDP1 (0.55) TDP1KMT2AMAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed