SCHEMBL11249170

SCHEMBL11249170

C=CCOc1cccc([N+](=O)[O-])c1NCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 5/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GAA P10253 2/20 0.43
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HCAR3 P49019 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL11236624 0.82 RAB9A (0.46) KMT2AMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11445418 0.80 MAPT (0.69) KMT2AMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11239850 0.79 CHRNB2 (0.42) MAPTL3MBTL1ALDH1A1CHRNB2CHRNB4
SCHEMBL6469206 0.76 MAPT (0.62) KMT2AMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11226908 0.75 TDP1 (0.53) KMT2AMAPTALDH1A1TDP1RAB9A
SCHEMBL5363442 0.75 RAB9A (0.46) KMT2AMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL430707 0.74 RAB9A (0.66) KMT2AMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL7670876 0.74 RAB9A (0.51) KMT2AMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL27668932 0.74 MAPT (0.57) KMT2AMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11213049 0.74 RAB9A (0.47) KMT2AMAPTALDH1A1TDP1RAB9A

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-4310527-A DISORDERS OF CAROIAC RHYTHM AND CORONARY HEART DISEASES AND HYDPERTENSION CIBA-GEIGY CORPORATION (US) 1982-01-12 — — US disclosed
US-4140789-A ADRENERGIC BLOCKING AGENTS, CARDIOTONIC, ANTIARRHYTHMIA, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-02-20 — — US disclosed
Send feedback