SCHEMBL9872546

SCHEMBL9872546

Cc1ccccc1Nc1ccc(N2COCN(c3ccc(Nc4ccccc4C)cc3)C2=S)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNK O75909 3/20 0.41
CCND3 P30281 3/20 0.41
CDK9 P50750 3/20 0.41
CDK6 Q00534 3/20 0.41
MAPT P10636 9/20 0.37
GAA P10253 8/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 3/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 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
SCHEMBL9872551 0.85 SMN1; SMN2 (0.36) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL9871945 0.83 CCNA2 (0.37) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL9870517 0.82 HSP90AA1 (0.46) MAPTGAATDP1SMN1; SMN2HPGD
SCHEMBL108882 0.74 MAPT (0.54) MAPTGAATDP1SMN1; SMN2TP53
SCHEMBL29653984 0.74 MAPT (0.54) MAPTGAATDP1SMN1; SMN2TP53
SCHEMBL9871349 0.72 ATM (0.51) MAPTGAATDP1SMN1; SMN2LMNA
SCHEMBL7027050 0.69 MAPT (0.64) MAPTGAATDP1SMN1; SMN2TP53
SCHEMBL9871952 0.69 LMNA (0.36) MAPTGAASMN1; SMN2TP53HPGD
SCHEMBL512863 0.69 MAPT (0.48) MAPTGAATDP1SMN1; SMN2TP53
SCHEMBL29940926 0.69 HPGD (0.60) MAPTGAATDP1TP53HPGD

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