SCHEMBL29974870

SCHEMBL29974870

ClCCNc1ccc(Br)nc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 1/20 0.41
▸ EGFR P00533 2/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP11B1 P15538 1/20 0.33
▸ STK17B O94768 3/20 0.32
▸ STK17A Q9UEE5 3/20 0.32
▸ FPR3 P25089 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ EDNRA P25101 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ P4HTM Q9NXG6 1/20 0.31

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
SCHEMBL23579386 1.00 FDFT1 (0.41) FDFT1EGFRSLC6A2SLC6A4SLC6A3
SCHEMBL16943126 0.82 MAPT (0.43) FDFT1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL25687977 0.81 FDFT1 (0.45) FDFT1EGFRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1871520 0.79 FDFT1 (0.44) FDFT1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL25431317 0.79 STK17A (0.40) FDFT1STK17BSTK17AFPR3FPR2
SCHEMBL2171131 0.78 RRM2 (0.47) FDFT1MEN1KMT2A
SCHEMBL28136433 0.78 FDFT1 (0.44) FDFT1SLC6A2SLC6A4SLC6A3CYP11B1
SCHEMBL9347587 0.77 NPSR1 (0.40) EGFRKDM4EMEN1MAPTKMT2A
SCHEMBL25298229 0.77 KCNH3 (0.48) FDFT1KDM4EMEN1MAPTKMT2A
SCHEMBL1585755 0.76 ADRA2A (0.49) FDFT1EGFRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 — — CN disclosed
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