SCHEMBL10467017

SCHEMBL10467017

NCC(O)c1ccc2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 6/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ TDP1 Q9NUW8 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ APEX1 P27695 4/20 0.47
▸ RECQL P46063 4/20 0.47
▸ TAAR1 Q96RJ0 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ADRB2 P07550 2/20 0.47
▸ ADRB1 P08588 2/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ ADRA2B P18089 2/20 0.47
▸ ADRA2C P18825 2/20 0.47
▸ ADRA1D P25100 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ DRD2 P14416 1/20 0.47

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
SCHEMBL11490380 1.00 BLM (0.47) BLMKDM4ETDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL11482129 0.98 BLM (0.46) BLMKDM4ETDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL11482126 0.98 BLM (0.46) BLMKDM4ETDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL11483484 0.98 BLM (0.46) BLMKDM4ETDP1MAPTAPEX1
SCHEMBL30988826 0.87 CYP3A4 (0.38) BLMKDM4ETDP1MAPTAPEX1
SCHEMBL10467019 0.87 PRKCI (0.51) BLMKDM4ETDP1MAPTAPEX1
SCHEMBL29256510 0.87 CYP3A4 (0.38) BLMKDM4ETDP1MAPTAPEX1
SCHEMBL10467041 0.85 MAPT (0.37) BLMKDM4ETDP1MAPTAPEX1
SCHEMBL10465744 0.85 MAPT (0.37) BLMKDM4ETDP1MAPTAPEX1
SCHEMBL5404733 0.79 MAPT (0.40) BLMKDM4ETDP1MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960783-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 — — US disclosed
EP-0325802-A1 Use of benzimidazole derivatives as operating capacity promotors BAYER AG (DE) 1989-08-02 — — EP disclosed
US-4204069-A 1-(5-BENZIMIDAZOYL)-2-ISOPROPYLAMINOETHANOL FROM ACETONE AND 1-(5-BENZIMIDAZOYL)-2-AMINOETHANOL MERCK & CO., INC. (US) 1980-05-20 — — US disclosed
US-4082847-A 1-(5-BENZIMIDAZOLYL)-2-ISOPROPYLAMINOETHANOL, BRONCHODILATION, REDUCING INTRAOCULAR PRESSURE MERCK & CO., INC. (US) 1978-04-04 — — US disclosed
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