SCHEMBL3363077

SCHEMBL3363077

Cc1[nH]c(Cc2ccccc2)nc1-c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE2A O00408 1/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
BCHE P06276 1/20 0.40
MAPT P10636 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ALOX15 P16050 1/20 0.40
ALPL P05186 1/20 0.40
ACVR1 Q04771 1/20 0.39

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
SCHEMBL3360324 0.89 MAPT (0.51) KMT2AGAAALDH1A1NPC1RAB9A
SCHEMBL3360696 0.86 PDE5A (0.43) KMT2AMEN1MAPT
SCHEMBL27915186 0.85 PRNP (0.39) GAAALDH1A1NPC1RAB9ABCHE
SCHEMBL14060644 0.84 PNP (0.40) KMT2AGAAALDH1A1NPC1RAB9A
SCHEMBL31305425 0.84 PNP (0.40) KMT2AGAAALDH1A1NPC1RAB9A
SCHEMBL27915193 0.83 KMT2A (0.43) KMT2AALDH1A1KDM4EMEN1BCHE
SCHEMBL27933696 0.83 ADORA2A (0.44) ALDH1A1RAB9AKDM4EMAPT
SCHEMBL3359061 0.82 KDM4E (0.50) KMT2AALDH1A1KDM4EBCHEMAPT
SCHEMBL2870100 0.82 KMT2A (0.44) KMT2AGAAPKMTSHRKDM4E
SCHEMBL26113182 0.82 NR1H2 (0.55) KMT2AGAAALDH1A1PKMTSHR

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
CN-102131959-B Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2013-07-17 CN disclosed
CN-102131959-A Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2011-07-20 CN disclosed
WO-2010024421-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-03-04 WO disclosed