SCHEMBL11036352

SCHEMBL11036352

CC(C)(NC(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
KCNJ5 P48544 5/20 0.47
KCNJ3 P48549 5/20 0.47
KCNJ6 P48051 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ANO1 Q5XXA6 4/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
TP53 P04637 1/20 0.41
KCNQ2 O43526 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5177562 0.81 NPC1 (0.59) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL11134551 0.80 KMT2A (0.52) ALDH1A1KCNJ5KCNJ3KCNJ6MEN1
SCHEMBL9364175 0.80 KCNJ5 (0.58) ALDH1A1KCNJ5KCNJ3KCNJ6MEN1
SCHEMBL11035296 0.79 KCNJ5 (0.58) ALDH1A1KCNJ5KCNJ3KCNJ6MEN1
SCHEMBL11056164 0.79 KCNJ5 (0.58) ALDH1A1KCNJ5KCNJ3KCNJ6LMNA
SCHEMBL10989847 0.74 ANO1 (0.57) ALDH1A1HPGDKCNJ5KCNJ3KCNJ6
SCHEMBL5175909 0.73 TRPV1 (0.51) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL5176966 0.71 ERCC1 (0.61) KCNJ5KCNJ3KCNJ6MEN1KMT2A
SCHEMBL11033536 0.70 KCNJ5 (0.50) ALDH1A1HPGDKCNJ5KCNJ3KCNJ6
SCHEMBL11038352 0.68 TRPV1 (0.47) ALDH1A1KCNJ5KCNJ3KCNJ6MEN1

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-59130260-A None JP disclosed
JP-S59130260-A PHENYLACETAMIDE DERIVATIVE, ITS PREPARATION, AND HERBICIDE CONTAINING IT AS ACTIVE INGREDIENT IDEMITSU KOSAN CO LTD 1984-07-26 JP disclosed