SCHEMBL7702068

SCHEMBL7702068

Cc1nc(C)n2c(=S)[nH]ncc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
HSD17B10 Q99714 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
MPI P34949 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
EGFR P00533 1/20 0.31
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL7702569 0.78 XDH (0.33) ALDH1A1PARP10
SCHEMBL12032371 0.60 JAK1 (0.41)
SCHEMBL19939421 0.59 DRD2 (0.36) KDM4EALDH1A1HPGDAPOBEC3G
SCHEMBL844319 0.56
SCHEMBL21266779 0.54 ADORA2A (0.30)
SCHEMBL13201561 0.53 CLK4 (0.38) KDM4EMAPTGAA
SCHEMBL25410369 0.52 CHEK1 (0.37) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL14341720 0.51 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL21863289 0.51 MAPT (0.40) KDM4EALDH1A1MAPTALOX15LMNA
SCHEMBL15450971 0.50 NOS3 (0.34) MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002081473-A1 SUBSTITUTED AZOLOAZIN(THI)ONES BAYER CROPSCIENCE AG (DE) 2002-10-17 WO disclosed
US-RE30511-E ENZYME INHIBITOR, HERBICIDE, CYCLIZATION AMERICAN CYANAMID COMPANY (US) 1981-02-10 US disclosed
US-4168964-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-09-25 US disclosed
US-4124766-A INTERMEDIATES FOR PHOSPHODIESTERASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-11-07 US disclosed
US-4107308-A HYPOTENSIVE AGENTS, HERBICIDES, REACTING SODIUM SALT WITH ALLYL OR ALKYL HALIDE, RING CLOSURE AMERICAN CYANAMID COMPANY (US) 1978-08-15 US disclosed
US-4107307-A ENZYME INHIBITORS, HERBICIDES, RING CLOSURE AMERICAN CYANAMID COMPANY (US) 1978-08-15 US disclosed