SCHEMBL5508271

SCHEMBL5508271

CNc1c(F)ccc2c(N)ccc(F)c12

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
PARP1 P09874 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
APEX1 P27695 1/20 0.30
CASP1 P29466 1/20 0.30
BRCA1 P38398 1/20 0.30
MTOR P42345 1/20 0.30
RECQL P46063 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
SCHEMBL5508727 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5508797 0.78 IDO1 (0.34) KEAP1NFE2L2MEN1USP2KMT2A
SCHEMBL5522881 0.76 ALDH1A1 (0.48) KEAP1ALDH1A1MEN1USP2POLB
SCHEMBL5513340 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5511625 0.74 ADRA2A (0.31)
SCHEMBL27525538 0.73 ALDH1A1 (0.36) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL5506962 0.73 ALDH1A1 (0.36) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL5518548 0.72 KDM4E (0.33) ALDH1A1MAPT
SCHEMBL30587393 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5510292 0.71 ALDH1A1 (0.34) ALDH1A1

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-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed