SCHEMBL9806526

SCHEMBL9806526

O=C(Nc1cccc(O)c1)c1c(O)cccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ P2RX1 P51575 2/20 0.57
▸ SRC P12931 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ TERT O14746 1/20 0.54
▸ AKR1C3 P42330 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ SNCA P37840 1/20 0.52
▸ TOP1 P11387 2/20 0.51
▸ TOP2A P11388 1/20 0.51
▸ TOP2B Q02880 1/20 0.51

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
SCHEMBL9806566 0.82 MEN1 (0.66) KMT2AMEN1ALDH1A1TP53P2RX1
SCHEMBL3768399 0.82 RAB9A (0.63) KMT2AMEN1ALDH1A1CYP1A2NPC1
SCHEMBL4372468 0.82 P2RX1 (0.71) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL9806572 0.81 LMNA (0.65) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL28771223 0.81 TERT (0.84) KMT2AMEN1ALDH1A1CYP1A2NPC1
SCHEMBL6793906 0.79 MEN1 (0.93) KMT2AMEN1ALDH1A1CYP1A2NPC1
SCHEMBL11675529 0.79 MEN1 (1.00) KMT2AMEN1ALDH1A1CYP1A2NPC1
SCHEMBL29800565 0.79 MEN1 (0.93) KMT2AMEN1ALDH1A1CYP1A2NPC1
SCHEMBL9400341 0.78 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1CYP1A2NPC1
SCHEMBL29473480 0.78 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1CYP1A2NPC1

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-0423163-A1 OXIDATIVE HAIR DYES Henkel Kommanditgesellschaft auf Aktien (DE) 1991-04-24 — — EP disclosed
WO-1990000047-A1 OXIDATIVE HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-01-11 — — WO disclosed
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