SCHEMBL21291833

SCHEMBL21291833

CN1C(=S)NCC1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.48
NPSR1 Q6W5P4 1/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 3/20 0.41
ALOX12 P18054 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL22506971 0.77 MEN1 (0.41) ATMNPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL4553224 0.76 ATM (0.43) ATMNPSR1ALDH1A1ALOX12KDM4E
SCHEMBL4849190 0.72 BRD4 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11129662 0.72 ATM (0.64) ATMNPSR1ALDH1A1HPGDTDP1
SCHEMBL30991563 0.71 ATM (0.36) ATMNPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL6439879 0.69 GAA (0.44) ATMNPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL25220896 0.69 HDAC1 (0.41) ATMNPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL25225024 0.69 CHRNB2 (0.43) ATMCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18827672 0.68 CHRNA7 (0.42) ATMNPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL18827671 0.68 GAA (0.42) ATMNPSR1CHRNB2CHRNB4CHRNA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272911-B1 INDIUM ELECTROPLATING COMPOSITIONS CONTAINING 2-IMIDAZOLIDINETHIONE COMPOUNDS AND METHODS FOR ELECTROPLATING INDIUM ROHM & HAAS ELECT MAT (US) 2019-08-28 EP claimed