SCHEMBL7407755

SCHEMBL7407755

CN(C)/C=C/c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ PDE7A Q13946 1/20 0.38
▸ ACHE P22303 4/20 0.38
▸ BCHE P06276 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL6497972 1.00 PTGS2 (0.47) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL11837114 0.88 ATM (0.50) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL11837128 0.88 ATM (0.50) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL8200453 0.85 AHR (0.48) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL9848580 0.83 ALDH1A1 (0.61) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL11264895 0.83 TSHR (0.53) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL11264900 0.83 TSHR (0.53) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL8957884 0.83 ALDH1A1 (0.61) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL6616919 0.82 PTGS2 (0.40) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL6616923 0.82 PTGS2 (0.40) PTGS2TDP1ATMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097460-C Cytotoxic amino sugars and related sugar derivatives of indolopyrrolocarbazoles BRISTOL MYERS SQUIBB CO (US) 2003-01-01 — — CN disclosed
EP-0971717-B1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2001-12-19 — — EP disclosed
EP-0971717-A4 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2000-04-12 — — EP disclosed
EP-0971717-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES Bristol-Myers Squibb Company (US) 2000-01-19 — — EP disclosed
CN-1228704-A Cytotoxic amino sugars and related sugar derivatives of indolopyrrolocarbazoles BRISTOL MYERS SQUIBB CO (US) 1999-09-15 — — CN disclosed
US-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 — — US disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 — — EP disclosed
WO-1998007433-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-26 — — WO disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 — — US disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 — — US disclosed
US-4904684-A 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydropyrrolo[3,2,1-hi]indole derivatives useful as antidiabetic agents SYNTHELABO (FR) 1990-02-27 — — US disclosed
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