SCHEMBL10495656

SCHEMBL10495656

O=[N+]([O-])c1ccccc1C=Cc1cccnn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.57
▸ NPC1 O15118 6/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ MAPT P10636 6/20 0.50
▸ SOS1 Q07889 1/20 0.48
▸ CYP19A1 P11511 2/20 0.47
▸ MAOB P27338 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ METAP2 P50579 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 2/20 0.43

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
SCHEMBL10495643 1.00 RAB9A (0.57) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10387039 0.87 KMT2A (0.68) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10387037 0.87 KMT2A (0.68) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL660647 0.84 NPC1 (0.60) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL660646 0.84 NPC1 (0.60) RAB9ANPC1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL9388184 0.83 NPC1 (0.58) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL14935499 0.81 MAPT (0.69) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11049170 0.81 MAPT (0.69) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9978289 0.81 MAPT (0.69) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11299049 0.79 MAPT (0.67) RAB9ANPC1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886801-A Diazine-ethenylphenyl oxamic acids and esters and salts thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1989-12-12 — — US disclosed
US-4788198-A ANTIALLERGENS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1988-11-29 — — US disclosed
EP-0137979-B1 DIAZINE-ETHENYLPHENYL OXAMIC ACIDS AND ESTERS AND SALTS THEREOF Boehringer Ingelheim Pharmaceuticals Inc. (US) 1988-10-26 — — EP disclosed
US-4681884-A ANTIALLERGEN, ANTIINFLAMMATORY BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1987-07-21 — — US disclosed
EP-0137979-A1 Diazine-ethenylphenyl oxamic acids and esters and salts thereof Boehringer Ingelheim Pharmaceuticals Inc. (US) 1985-04-24 — — EP disclosed
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