SCHEMBL9364175

SCHEMBL9364175

CC(C)(NC(=O)Cc1ccccc1Cl)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 5/20 0.58
KCNJ3 P48549 5/20 0.58
KCNJ6 P48051 2/20 0.58
P2RX7 Q99572 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ANO1 Q5XXA6 3/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
APAF1 O14727 1/20 0.46
TDP2 O95551 1/20 0.46
NSD2 O96028 1/20 0.46
MAPT P10636 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
CTBP2 P56545 1/20 0.45

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
SCHEMBL11134551 0.91 KMT2A (0.52) KCNJ5KCNJ3KCNJ6NPC1RAB9A
SCHEMBL11035296 0.88 KCNJ5 (0.58) KCNJ5KCNJ3KCNJ6NPC1RAB9A
SCHEMBL11056164 0.88 KCNJ5 (0.58) KCNJ5KCNJ3KCNJ6NPC1RAB9A
SCHEMBL10989847 0.84 ANO1 (0.57) KCNJ5KCNJ3KCNJ6NPC1RAB9A
SCHEMBL118815 0.82 NPC1 (0.64) KCNJ5KCNJ3KCNJ6NPC1RAB9A
SCHEMBL29414021 0.82 NPC1 (0.64) KCNJ5KCNJ3KCNJ6NPC1RAB9A
SCHEMBL11036352 0.80 ALDH1A1 (0.48) KCNJ5KCNJ3KCNJ6NPC1RAB9A
SCHEMBL11220297 0.79 MEN1 (0.57) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL9360320 0.79 P2RX7 (0.55) P2RX7ALDH1A1KMT2APOLBCYP3A4
SCHEMBL28351223 0.77 CNR1 (0.54) KCNJ5KCNJ3KCNJ6P2RX7NPC1

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
JP-6116218-A None JP disclosed
JP-H06116218-A N-@(3754/24)ALPHA,ALPHA-DIMETHYLBENZYL)PHENYLACETAMIDE DERIVATIVE MITSUBISHI PETROCHEM CO LTD 1994-04-26 JP disclosed