SCHEMBL8064953

SCHEMBL8064953

Cc1cc(NC(=O)C(C)(C)C)sn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
HTR2C P28335 2/20 0.45
HTR2A P28223 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3772534 0.81 SMARCA2 (0.51) SMARCA2SMARCA4HTR2CHTR2ASMN1; SMN2
SCHEMBL9891515 0.81 L3MBTL1 (0.41) SMARCA2SMARCA4SMN1; SMN2NPC1RAB9A
SCHEMBL6633482 0.79 SMARCA2 (0.50) SMARCA2SMARCA4HTR2CHTR2ASMN1; SMN2
SCHEMBL5776103 0.79 HTR2C (0.48) SMARCA2SMARCA4HTR2CHTR2ASMN1; SMN2
SCHEMBL5834107 0.78 SMARCA2 (0.47) SMARCA2SMARCA4HTR2CHTR2ASMN1; SMN2
SCHEMBL14445424 0.78 SMARCA2 (0.49) SMARCA2SMARCA4HTR2CHTR2ASMN1; SMN2
SCHEMBL11129213 0.78 SMARCA2 (0.49) SMARCA2SMARCA4HTR2CHTR2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5409508 0.77 SMARCA2 (0.46) SMARCA2SMARCA4HTR2CHTR2ASMN1; SMN2
SCHEMBL11410175 0.76 SMARCA2 (0.55) SMARCA2SMARCA4HTR2CHTR2ASMN1; SMN2
SCHEMBL11668320 0.75 SMARCA2 (0.47) SMARCA2SMARCA4HTR2CHTR2ASMN1; SMN2

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-1005461-A1 ACYLATED 5-AMINOISOTHIAZOLES AS PESTICIDES AND FUNGICIDES Bayer Aktiengesellschaft (DE) 2000-06-07 EP disclosed
WO-1999010334-A1 ACYLATED 5-AMINOISOTHIAZOLES AS PESTICIDES AND FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-04 WO disclosed