SCHEMBL3245375

SCHEMBL3245375

Cc1[nH]c(Cc2ccccc2)nc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALKBH3 Q96Q83 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
EGFR P00533 1/20 0.39
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL26111911 0.86 GAA (0.50) KMT2AGAANPC1POLBRAB9A
SCHEMBL3238413 0.85 RAB9A (0.55) KMT2AGAANPC1POLBRAB9A
SCHEMBL2867282 0.82 NR1H2 (0.55) KMT2AGAANPC1POLBRAB9A
SCHEMBL2868950 0.82 MAPK13 (0.44) KMT2AGAANPC1POLBRAB9A
SCHEMBL3242264 0.82 KCNH2 (0.40) KMT2AGAANPC1RAB9ATP53
SCHEMBL27835373 0.81 TAAR1 (0.44) KMT2AGAATNKSTNKS2NPC1
SCHEMBL3239673 0.79 GAA (0.41) KMT2AGAANPC1POLBRAB9A
SCHEMBL3359090 0.78 GAA (0.43) KMT2AGAANPC1POLBRAB9A
SCHEMBL3239680 0.78 HSD11B1 (0.49) GAANPC1POLBRAB9ATP53
SCHEMBL3236958 0.78 GAA (0.45) KMT2AGAANPC1POLBRAB9A

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-102137953-B Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2014-05-07 CN disclosed
CN-102137953-A Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2011-07-27 CN disclosed
WO-2010024472-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-03-04 WO disclosed