SCHEMBL8794474

SCHEMBL8794474

Cc1cc(OC(=S)N(C)C)cc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 4/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
NR1I2 O75469 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
CYP51A1 Q16850 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL24372709 0.84 L3MBTL1 (0.37) RAB9AALDH1A1LMNAHTTNPC1
SCHEMBL1765588 0.84 ALDH1A1 (0.39) RAB9AALDH1A1LMNAHTTNPC1
SCHEMBL8763816 0.84 TSHR (0.42) RAB9AALDH1A1LMNAHTTNPC1
SCHEMBL4931670 0.80 RAB9A (0.35) RAB9AALDH1A1LMNAHTTNPC1
SCHEMBL396571 0.77 RAB9A (0.42) RAB9AALDH1A1LMNAHTTNPC1
SCHEMBL386837 0.77 ALDH1A1 (0.48) RAB9AALDH1A1LMNAHTTMAPT
SCHEMBL25773118 0.75 L3MBTL1 (0.33) RAB9AALDH1A1LMNAHTTNPC1
SCHEMBL2653825 0.72 L3MBTL1 (0.44) RAB9AALDH1A1LMNAHTTNPC1
SCHEMBL9265658 0.72 L3MBTL1 (0.47) RAB9ANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL13858439 0.72 CYP4F2 (0.42) RAB9AALDH1A1LMNAHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP claimed
EP-0552553-B1 Sulfonimidamides as antineoplastic agents LILLY CO ELI (US) 1997-07-23 EP disclosed
US-5258406-A Antitumor agents ELI LILLY AND COMPANY (US) 1993-11-02 US disclosed
EP-0552553-A1 Sulfonimidamides as antineoplastic agents ELI LILLY AND COMPANY (US) 1993-07-28 EP disclosed