SCHEMBL5806333

SCHEMBL5806333

CN1c2ccccc2SC1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ ADRA2A P08913 2/20 0.38
▸ ADRA2B P18089 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.38
▸ KDM1A O60341 2/20 0.35
▸ PPARG P37231 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ TSHR P16473 2/20 0.33

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
SCHEMBL7992802 0.85 MAOA (0.42) MAOAADRA2AADRA2BADRA2CCHRM3
SCHEMBL11515966 0.83 MAOA (0.41) MAOAADRA2AADRA2BADRA2CCHRM3
SCHEMBL10358772 0.78 ALDH1A1 (0.35) MAOAMEN1KMT2APPARGALDH1A1
SCHEMBL11515393 0.77 MAOA (0.36) MAOAADRA2AADRA2BADRA2CCHRM3
SCHEMBL31571121 0.75 MAOA (0.43) MAOAPIM1ADRA2AADRA2BADRA2C
SCHEMBL8931214 0.75 MAOA (0.43) MAOAPIM1ADRA2AADRA2BADRA2C
SCHEMBL12264201 0.74 MAOA (0.46) MAOAADRA2AADRA2BADRA2CCHRM3
SCHEMBL18434891 0.74 MEN1 (0.36) MAOAMEN1KMT2AKDM1APPARG
SCHEMBL9505193 0.73 SMN1; SMN2 (0.34) MAOAMEN1KMT2APPARGALDH1A1
SCHEMBL16728889 0.72 MAOA (0.45) MAOAADRA2AADRA2BADRA2CCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006102987-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-05 — — WO disclosed
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