SCHEMBL11746751

SCHEMBL11746751

CCNC(=S)NC1CCCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HTT P42858 3/20 0.61
RECQL P46063 1/20 0.55
PTPN7 P35236 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
EPHX1 P07099 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL3210483 0.86 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AHTTRECQL
SCHEMBL11748515 0.83 HTT (0.81) ALDH1A1MEN1KMT2AHTTTAS1R3
SCHEMBL12049459 0.82 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AHTTRECQL
SCHEMBL8268103 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHTTTAS1R3
SCHEMBL11752030 0.81 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTRECQL
SCHEMBL4700260 0.79 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHTTRECQL
SCHEMBL3219943 0.79 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHTTRECQL
SCHEMBL3196481 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHTTRECQL
SCHEMBL29757862 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHTTRECQL
SCHEMBL29757861 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHTTRECQL

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
US-4062856-A ANIMAL GROWTH REGULATOR, HERBICIDE AMERICAN CYANAMID CO. (US) 1977-12-13 US disclosed
US-3953606-A ANIMAL GROWTH STIMULATORS AMERICAN CYANAMID COMPANY (US) 1976-04-27 US disclosed