SCHEMBL9871349

SCHEMBL9871349

S=C1N(c2ccccc2)COCN1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL9870517 0.83 HSP90AA1 (0.46) ATMMAPTLMNAGAATDP1
SCHEMBL3257577 0.78 SIGMAR1 (0.58) ATMMAPTLMNAKDM4EGAA
SCHEMBL9873115 0.77 ATM (0.48) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13917942 0.74 ATM (0.49) ATMMAPTLMNAKDM4EGAA
SCHEMBL9871534 0.70 POLB (0.47) ATMMAPTLMNAKDM4EGAA
SCHEMBL5963879 0.70 NPC1 (0.48) MAPTLMNAKDM4EGAATDP1
SCHEMBL3362762 0.68 NPC1 (0.52) MAPTKDM4EGAATDP1SMN1; SMN2
SCHEMBL11540343 0.67 MEN1 (0.45) MAPTLMNAKDM4EGAATDP1
SCHEMBL29698721 0.67 ADRA2A (0.39) ATMLMNASMN1; SMN2SIGMAR1NPC1
SCHEMBL6360701 0.67 NPC1 (0.45) ATMMAPTLMNAKDM4EGAA

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