SCHEMBL9806572

SCHEMBL9806572

O=C(Nc1ccc(O)cc1)c1c(O)cccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
P2RX1 P51575 1/20 0.56
NQO2 P16083 1/20 0.53
DEGS1 O15121 3/20 0.53
TP53 P04637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
XDH P47989 2/20 0.51
SLC22A12 Q96S37 2/20 0.51
SNCA P37840 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PEPD P12955 1/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.50

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
4-Aminophenol SCHEMBL9806603 0.91 LMNA (0.56) LMNAP2RX1NQO2DEGS1TP53
SCHEMBL9806566 0.86 MEN1 (0.66) LMNAP2RX1TP53SLC22A12MEN1
SCHEMBL20413311 0.85 NPC1 (0.67) LMNAP2RX1TP53NPC1RAB9A
SCHEMBL10428048 0.85 P2RX1 (0.57) LMNAP2RX1NPC1RAB9AMAOB
Resorantel SCHEMBL1027956 0.85 TP53 (0.61) LMNAP2RX1TP53NPC1RAB9A
SCHEMBL8204744 0.83 MEN1 (0.64) LMNAP2RX1DEGS1TP53NPC1
Resorantel SCHEMBL11209389 0.83 TP53 (0.59) LMNAP2RX1TP53NPC1RAB9A
SCHEMBL9806526 0.81 KMT2A (0.66) LMNAP2RX1TP53NPC1RAB9A
SCHEMBL8401785 0.80 P2RX1 (0.74) LMNAP2RX1NPC1RAB9AMEN1
SCHEMBL3287283 0.80 P2RX1 (0.49) LMNAP2RX1TP53NPC1RAB9A

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