SCHEMBL6878764

SCHEMBL6878764

c1ccc(-c2cc3ccccc3o2)c(Cn2ccnn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ CYP19A1 P11511 6/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL27792837 0.79 MAOA (0.56) MAOAMAOBCYP19A1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10537421 0.76 CYP19A1 (0.62) MAOAMAOBCYP19A1CYP11B1
SCHEMBL28263864 0.73 CYP19A1 (0.68) CYP19A1CCR1CCR2
SCHEMBL18015826 0.71 MAOB (0.57) MAOAMAOBALDH1A1KDM4ENPC1
SCHEMBL21480315 0.71 MAOB (0.57) MAOAMAOBNPC1RAB9AHTR2C
SCHEMBL2208757 0.71 HDAC6 (0.60) MAOAMAOBALDH1A1KDM4ENPC1
SCHEMBL8893064 0.71 MAOB (0.57) MAOAMAOBALDH1A1ADRA2AKDM4E
SCHEMBL21480331 0.71 MAOB (0.57) MAOAMAOBALDH1A1ADRA2AKDM4E
SCHEMBL4901772 0.71 MAOB (0.57) MAOAMAOBALDH1A1ADRA2AKDM4E
SCHEMBL7112750 0.70 MAOA (0.46) MAOAMAOBALDH1A1KDM4ENPC1

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-2262471-B1 COMPOSITION AND USES FOR INFLUENCING HAIR GROWTH LUCOLAS M D LTD (GB) 2015-10-28 — — EP disclosed
US-20040018991-A1 Topical treatment for mastalgia MDI ONCOLOGY, INC. 2004-01-29 — — US disclosed
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