SCHEMBL8071430

SCHEMBL8071430

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1ccc(NC(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
AKR1C3 P42330 10/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
AKR1C2 P52895 1/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8067007 0.94 KMT2A (0.45) ALDH1A1KMT2AHPGDAKR1C3MEN1
SCHEMBL8071906 0.90 ALDH1A1 (0.44) ALDH1A1KMT2AHPGDAKR1C3MEN1
SCHEMBL7823983 0.90 LMNA (0.45) ALDH1A1KMT2AHPGDAKR1C3MEN1
SCHEMBL7816184 0.88 CYP19A1 (0.44) ALDH1A1KMT2AHPGDMEN1HSD17B10
SCHEMBL7831313 0.86 SMN1; SMN2 (0.45) ALDH1A1KMT2AHPGDMEN1HSD17B10
SCHEMBL7831187 0.86 CYP19A1 (0.47) ALDH1A1HPGDAKR1C3MAPTPOLB
SCHEMBL7831799 0.85 POLB (0.40) ALDH1A1KMT2AHPGDMEN1HSD17B10
SCHEMBL5511589 0.85 MAPT (0.44) ALDH1A1HPGDHSD17B10MAPTPOLB
SCHEMBL7828234 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AHPGDMEN1HSD17B10
SCHEMBL7816556 0.84 LMNA (0.44) ALDH1A1KMT2AHPGDAKR1C3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed