SCHEMBL11236624

SCHEMBL11236624

C=CCOc1cccc([N+](=O)[O-])c1NC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ RECQL P46063 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ LIG1 P18858 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL11249170 0.82 KMT2A (0.47) RAB9APOLBRECQLNPC1ALDH1A1
SCHEMBL11226908 0.81 TDP1 (0.53) RAB9APOLBRECQLNPC1ALDH1A1
SCHEMBL430707 0.81 RAB9A (0.66) RAB9APOLBRECQLNPC1ALDH1A1
SCHEMBL7670876 0.80 RAB9A (0.51) RAB9APOLBRECQLNPC1ALDH1A1
SCHEMBL11213049 0.80 RAB9A (0.47) RAB9APOLBRECQLNPC1ALDH1A1
SCHEMBL21996988 0.79 HTR1A (0.57) RAB9APOLBRECQLNPC1ALDH1A1
SCHEMBL5363442 0.78 RAB9A (0.46) RAB9APOLBRECQLNPC1ALDH1A1
SCHEMBL9671707 0.78 RAB9A (0.46) RAB9APOLBRECQLNPC1ALDH1A1
SCHEMBL12006023 0.78 RAB9A (0.46) RAB9APOLBRECQLNPC1ALDH1A1
SCHEMBL6930910 0.77 ALDH1A1 (0.62) RAB9ARECQLNPC1ALDH1A1KDM4E

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