SCHEMBL11025485

SCHEMBL11025485

O=Nc1c(NCCO)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ GAA P10253 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RECQL P46063 2/20 0.42
▸ GLA P06280 3/20 0.41
▸ MITF O75030 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40

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
SCHEMBL11076680 0.82 CNR1 (0.49) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL11075613 0.81 IDO1 (0.45) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL11078414 0.76 IDO1 (0.41) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL6753421 0.74 ALDH1A1 (0.77) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL22181933 0.72 SIRT1 (0.54) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL11080086 0.71 IDO1 (0.45) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL29193153 0.71 KDM4E (0.45) KDM4EALDH1A1GAAHPGDTSHR
Alcohol SCHEMBL9615112 0.69 THRB (0.51) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL103998 0.69 THRB (0.59) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL9507918 0.67 THRB (0.58) KDM4EALDH1A1GAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041630-B1 NEW 3H-NAPHTHO(1,2-D)IMIDAZOLES, THE PROCESS FOR PREPARING THEM, THE COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS AND COMPOSITIONS CONTAINING THEM GRUPPO LEPETIT S.P.A. (IT) 1985-03-13 — — EP disclosed
US-4411907-A ANALGESICS, ANTIPYRETICS GRUPPO LEPETIT, S.P.A. (IT) 1983-10-25 — — US disclosed
EP-0041630-A1 New 3H-naphtho(1,2-d)imidazoles, the process for preparing them, the compounds for use as antiinflammatory agents and compositions containing them GRUPPO LEPETIT S.P.A. (IT) 1981-12-16 — — EP disclosed
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