SCHEMBL7754611

SCHEMBL7754611

CC1(C)Nc2ccc([N+](=O)[O-])cc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN9 O14815 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ AKR1B1 P15121 2/20 0.48
▸ PGR P06401 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALPL P05186 1/20 0.42
▸ SNCA P37840 4/20 0.42
▸ TSHR P16473 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
SCHEMBL755345 0.93 MEN1 (0.49) CAPN9CASP3AKR1B1PGRMEN1
SCHEMBL14328385 0.86 AKR1B1 (0.49) CAPN9CASP3AKR1B1PGRMEN1
SCHEMBL12237296 0.79 CAPN9 (0.55) CAPN9CASP3AKR1B1PGRMEN1
SCHEMBL18677465 0.78 MEN1 (0.42) CAPN9CASP3AKR1B1PGRMEN1
SCHEMBL31344376 0.78 MEN1 (0.61) CAPN9CASP3MEN1KMT2ACYP3A4
SCHEMBL29242097 0.78 MEN1 (0.61) CAPN9CASP3MEN1KMT2ACYP3A4
SCHEMBL193560 0.78 MEN1 (0.61) CAPN9CASP3MEN1KMT2ACYP3A4
Water SCHEMBL16654483 0.77 CAPN9 (0.49) CAPN9CASP3AKR1B1MEN1KMT2A
SCHEMBL3596379 0.75 MGAT2 (0.37) PGRMEN1KMT2ACYP3A4TDP1
SCHEMBL7170898 0.75 CSNK1G1 (0.45) AKR1B1MEN1KMT2ACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620732-B1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN INC (US) 2001-04-04 — — EP disclosed
US-5418234-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1995-05-23 — — US disclosed
EP-0549594-B1 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME ALLERGAN INC (US) 1995-02-01 — — EP disclosed
US-5373010-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1994-12-13 — — US disclosed
EP-0620732-A1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN, INC. (US) 1994-10-26 — — EP disclosed
US-5326763-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1994-07-05 — — US disclosed
US-5231096-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1993-07-27 — — US disclosed
WO-1993013771-A1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN, INC. (US) 1993-07-22 — — WO disclosed
EP-0549594-A1 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME. ALLERGAN INC (US) 1993-07-07 — — EP disclosed
EP-0549594-A4 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME. ALLERGAN INC (US) 1993-04-16 — — EP disclosed
US-5198442-A (2-imidazolin-2-ylamino) quinoxaline derivatives and methods for using same ALLERGAN, INC. (US) 1993-03-30 — — US disclosed
US-5112822-A Gastrointestinal disorders and glaucoma treatment ALLERGAN, INC. (US) 1992-05-12 — — US disclosed
WO-1992002515-A1 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME ALLERGAN, INC. (US) 1992-02-20 — — WO disclosed
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