SCHEMBL11184839

SCHEMBL11184839

O=C(O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.61
▸ SMN1; SMN2 Q16637 6/20 0.61
▸ MAPT P10636 3/20 0.59
▸ LMNA P02545 4/20 0.54
▸ POLB P06746 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ PAX8 Q06710 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL11178712 0.87 POLB (0.55) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL11192854 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAPOLB
SCHEMBL11189426 0.85 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTLMNAPOLB
SCHEMBL11198118 0.83 POLB (0.54) ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL11165531 0.83 MCHR1 (0.55) MAPTLMNAPOLB
SCHEMBL11200220 0.83 POLB (0.54) ALDH1A1SMN1; SMN2MAPTLMNAPOLB
SCHEMBL11165965 0.83 MCHR1 (0.55) MAPTLMNAPOLB
SCHEMBL11194691 0.83 POLB (0.52) ALDH1A1MAPTLMNAPOLBPAX8
SCHEMBL10356773 0.83 MCHR1 (0.55) MAPTLMNAPOLB
SCHEMBL11441498 0.82 MCHR1 (0.56) SMN1; SMN2MAPTLMNAPOLBCYP1A2

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
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 — — EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP disclosed
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