SCHEMBL8920051

SCHEMBL8920051

Cc1cccc(C=CC(=O)Cl)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 3/20 0.47
RAB9A P51151 2/20 0.45
MAPT P10636 3/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 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
SCHEMBL8920048 1.00 ALDH1A1 (0.53) ALDH1A1TDP1TSHRRAB9AMAPT
SCHEMBL10613251 0.86 MAPT (0.58) ALDH1A1TDP1TSHRRAB9AMAPT
SCHEMBL10341377 0.86 MAPT (0.58) ALDH1A1TDP1TSHRRAB9AMAPT
SCHEMBL16956500 0.77 ALDH1A1 (0.64) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL6421785 0.77 ALDH1A1 (0.48) ALDH1A1TSHRRAB9AMAPTSMN1; SMN2
SCHEMBL7069601 0.77 ALDH1A1 (0.48) ALDH1A1TSHRRAB9AMAPTSMN1; SMN2
SCHEMBL6421789 0.77 ALDH1A1 (0.48) ALDH1A1TSHRRAB9AMAPTSMN1; SMN2
SCHEMBL722136 0.75 ALDH1A1 (0.67) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL11836212 0.75 ALDH1A1 (0.56) ALDH1A1TDP1TSHRRAB9AMAPT
SCHEMBL11836225 0.75 ALDH1A1 (0.56) ALDH1A1TDP1TSHRRAB9AMAPT

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-5668136-A ANTIARTERIOSCLEROTIC AGENT, CHOLESTEROL O-ACYLTRANSFERASE INHIBITOR EISAI CO., LTD. (JP) 1997-09-16 US disclosed
EP-0477778-B1 Benzene, pyridine and pyrimidine derivative EISAI CO LTD (JP) 1996-04-24 EP disclosed
EP-0615970-A1 Benzene, pyridine and pyrimidine derivative Eisai Co., Ltd. (JP) 1994-09-21 EP disclosed
EP-0477778-A2 Benzene, pyridine and pyrimidine derivative Eisai Co., Ltd. (JP) 1992-04-01 EP disclosed