SCHEMBL124943

SCHEMBL124943

O=C(O)c1cccc[n+]1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AKR1B1 P15121 1/20 0.39
HSP90AA1 P07900 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 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
SCHEMBL1723479 0.85 CYP2D6 (0.66) CYP2D6CYP2C19NPC1KDM4EALDH1A1
SCHEMBL16105815 0.85 CYP2D6 (0.57) CYP2D6CYP2C19NPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1712098 0.84 CYP2D6 (0.64) CYP2D6CYP2C19NPC1KDM4EALDH1A1
Bromide SCHEMBL1712889 0.84 CYP2D6 (0.64) CYP2D6CYP2C19NPC1KDM4EALDH1A1
Acetic Acid SCHEMBL1712555 0.81 CYP2D6 (0.60) CYP2D6CYP2C19NPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11604018 0.80 CYP2D6 (0.59) CYP2D6CYP2C19NPC1KDM4EALDH1A1
SCHEMBL122095 0.79 HDAC1 (0.46) CYP2D6CYP2C19NPC1HPGDSMN1; SMN2
SCHEMBL28336516 0.78 CYP2D6 (0.41) CYP2D6CYP2C19NPC1KDM4EALDH1A1
SCHEMBL124600 0.78 MAPT (0.46) NPC1SMN1; SMN2RAB9ACES1MAPT
Sulfuric Acid SCHEMBL2183925 0.77 CYP2D6 (0.56) CYP2D6CYP2C19NPC1KDM4EALDH1A1

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-2143820-B1 An electroless gold plating solution ROHM & HAAS ELECT MAT (US) 2012-03-07 EP disclosed
EP-2143820-A1 An electroless gold plating solution Rohm and Haas Electronic Materials LLC (US) 2010-01-13 EP disclosed
US-7534289-B1 Electroless gold plating solution ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2009-05-19 US disclosed