SCHEMBL9873752

SCHEMBL9873752

CCN(CC)c1ccc(N(C)C(=S)Sc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
PHGDH O43175 1/20 0.50
MGLL Q99685 1/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
CNR2 P34972 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL27657056 0.85 MGLL (0.68) FAAHPHGDHMGLLMEN1KMT2A
SCHEMBL9872614 0.80 FAAH (0.46) FAAHPHGDHMGLLMEN1KMT2A
SCHEMBL5299279 0.74 SMN1; SMN2 (0.56) FAAHPHGDHMGLLKMT2ANPC1
SCHEMBL9871105 0.74 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL9871630 0.74 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL27992329 0.73 ALDH1A1 (0.52) FAAHPHGDHMGLLMEN1KMT2A
SCHEMBL9871052 0.73 ALDH1A1 (0.53) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL27521010 0.73 SMN1; SMN2 (0.54) FAAHPHGDHMGLLKMT2ANPC1
SCHEMBL610430 0.73 TDP1 (0.53) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL27992542 0.72 ALDH1A1 (0.50) FAAHPHGDHMGLLMEN1KMT2A

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-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP disclosed