SCHEMBL9860730

SCHEMBL9860730

NNc1nc(C(F)(F)F)cc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 3/20 0.43
RAB9A P51151 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
KMT2A Q03164 5/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 8/20 0.38
ATM Q13315 2/20 0.38
HSD17B10 Q99714 2/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL31558756 0.86 HSP90AA1 (0.58) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL9711371 0.86 HSP90AA1 (0.58) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL29072820 0.81 CYP2C19 (0.75) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL31453692 0.81 CYP2C19 (0.40) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL31453606 0.81 L3MBTL1 (0.49) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL31453549 0.80 TLR8 (0.47) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL2141628 0.74 SYK (0.49) KDM4E
SCHEMBL1595737 0.74 NPSR1 (0.58) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL31453724 0.73 CYP2C19 (0.40) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL10900625 0.72 HSP90AA1 (0.71) CYP3A4CYP2D6TSHRCRHBPCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016138-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-01-23 WO disclosed
EP-0322643-B1 MEDICINES CONTAINING AS A MIXTURE INTERFERON AND 1-DESOXY-PIPERIDINOSES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1991-07-24 EP disclosed
US-4940705-A VIRICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
EP-0322643-A1 Medicines containing as a mixture interferon and 1-desoxy-piperidinoses, process for their manufacture and their use BAYER AG (DE) 1989-07-05 EP disclosed
EP-0313974-A1 N-substituted derivatives of 1-desoxynojirimycine and 1-desoxymannonojirimycine, process for their preparation and their use as pharmaceuticals BAYER AG (DE) 1989-05-03 EP disclosed