SCHEMBL10519858

SCHEMBL10519858

CN(C)Cc1cccc(OCCC(=O)NCc2csc(-c3csc(N)n3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ROCK1 Q13464 9/20 0.41
▸ ROCK2 O75116 7/20 0.41
▸ NOS1 P29475 2/20 0.40
▸ LSS P48449 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PRKACA P17612 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38

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
SCHEMBL10521863 0.91 LSS (0.50) TSHRROCK1ROCK2NOS1LSS
SCHEMBL10518550 0.86 TSHR (0.56) TSHRRECQLCYP3A4CYP2C9KDM4E
SCHEMBL10521092 0.86 ALDH1A1 (0.37) TSHRRECQLROCK1LSSCYP3A4
SCHEMBL10519080 0.83 HRH2 (0.47) ROCK1PRKACASMN1; SMN2MEN1ALDH1A1
SCHEMBL10518366 0.80 MAPT (0.53) TSHRROCK1ROCK2NOS1LSS
SCHEMBL10520147 0.79 LSS (0.41) TSHRRECQLROCK1ROCK2LSS
SCHEMBL10518291 0.77 ALDH1A1 (0.45) ROCK1ROCK2SMN1; SMN2KDM4EMEN1
SCHEMBL10520446 0.77 ALDH1A1 (0.42) TSHRSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL10518226 0.76 KMT2A (0.54) TSHRCYP2C9HDAC1HDAC8SMN1; SMN2
SCHEMBL10521093 0.76 LSS (0.47) ROCK1ROCK2NOS1LSSNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 — — EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 — — US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
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