SCHEMBL8032699

SCHEMBL8032699

[N-]=[N+]=C1COc2ccc(OCc3ccccc3)cc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.57
MAOA P21397 12/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
GRM5 P41594 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TOP1 P11387 1/20 0.47

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
SCHEMBL8029251 0.81 MAOB (0.61) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL8019590 0.81 ALOX5 (0.51) ALOX5
SCHEMBL8034968 0.79 MAOB (0.57) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL8034966 0.79 MAOB (0.57) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL7546181 0.78 TOP1 (0.49) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL30353218 0.76 MAOB (0.81) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL6836955 0.76 MAOB (0.81) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL281588 0.73 MAOB (1.00) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL5496459 0.73 MAOB (0.61) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL8034908 0.72 MAOB (0.69) MAOBMAOANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5298512-A Substituted chromans and their use in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1994-03-29 US disclosed
EP-0391625-B1 Substituted chromans in the treatment of asthma, arthritis and related diseases PFIZER (US) 1994-01-26 EP disclosed
EP-0313296-B1 Substituted chromans and related compounds in the treatment of asthma PFIZER (US) 1993-12-29 EP disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
WO-1990012010-A1 SUBSTITUTED CHROMANS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1990-10-18 WO disclosed
EP-0391625-A1 Substituted chromans in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1990-10-10 EP disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed