SCHEMBL11335498

SCHEMBL11335498

O=C(O)Oc1nccn1C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CYP19A1 P11511 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP17A1 P05093 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL28377610 0.77 SMN1; SMN2 (0.34) OPRK1CYP26A1OPRD1
SCHEMBL11335494 0.76 CYP19A1 (0.40) MGLLFAAHCYP19A1KDM4EOPRK1
SCHEMBL28381059 0.72 MC4R (0.34) OPRK1ALDH1A1OPRD1LMNA
SCHEMBL11337559 0.71 MGLL (0.35) MGLLFAAHCYP19A1KMT2AALDH1A1
SCHEMBL10514880 0.71 MGLL (0.35) MGLLFAAHCYP19A1KMT2AALDH1A1
SCHEMBL28887530 0.70 ACHE (0.36) OPRK1OPRD1
SCHEMBL11330557 0.69 CYP19A1 (0.40) CYP19A1KDM4EOPRK1KMT2AALDH1A1
SCHEMBL1606039 0.69 CYP17A1 (0.53) CYP19A1OPRK1KMT2AALDH1A1MEN1
SCHEMBL8865912 0.69 CYP19A1 (0.40) MGLLFAAHCYP19A1KDM4EOPRK1
SCHEMBL11332342 0.69 ALDH1A1 (0.47) MGLLFAAHCYP19A1ALDH1A1MAPK1

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-0000373-B1 IMIDAZOLE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULANTS OR PLANT PROTECTION AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-07 — — EP disclosed
EP-0000373-A1 Imidazole carboxylic acids and derivatives thereof, process for their preparation and their use as plant growth regulants or plant protection agents HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-24 — — EP disclosed
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