SCHEMBL11272018

SCHEMBL11272018

CCSc1nc(C)cc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 2/20 0.42
POLB P06746 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL22142948 0.87 KDM4E (0.44) LMNAKDM4ECYP1A2POLBHSP90AA1
SCHEMBL266824 0.85 LMNA (0.70) LMNAKDM4ECYP1A2GAAPOLB
SCHEMBL11833478 0.78 LMNA (0.46) LMNAKDM4EGAAKMT2AMEN1
SCHEMBL18001725 0.78 LMNA (0.54) LMNAKDM4ECYP1A2GAAPOLB
SCHEMBL1902046 0.77 POLB (0.47) LMNAKDM4EGAAPOLBAPOBEC3G
SCHEMBL11347192 0.76 LMNA (0.52) LMNAKDM4ECYP1A2GAAPOLB
SCHEMBL844197 0.74 MEN1 (0.50) LMNAKDM4EPOLBKMT2AMEN1
SCHEMBL5928016 0.73 HSD17B10 (0.47) LMNAKDM4ECYP1A2GAAPOLB
SCHEMBL5309782 0.73 HPGD (0.67) LMNAGAAKMT2AMEN1HTT
SCHEMBL3451654 0.72 KDM4E (0.57) LMNAKDM4EGAAHSP90AA1KMT2A

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-4330461-A FIREPROOFING POLYESTERS AND POLYAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-05-18 US disclosed
US-4234729-A FIREPROOFING POLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-11-18 US disclosed