SCHEMBL9871827

SCHEMBL9871827

O=[N+]([O-])C(=Cc1ccccc1)CCBr

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 10/20 0.56
▸ PRMT1 Q99873 1/20 0.50
▸ AKR1C3 P42330 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL23112863 0.80 FBP1 (0.61) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL16030559 0.80 FBP1 (0.56) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL8137951 0.80 FBP1 (0.61) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL4631917 0.80 FBP1 (0.56) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL4631916 0.80 FBP1 (0.56) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL11498501 0.76 FBP1 (0.51) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL11498503 0.76 FBP1 (0.51) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL21631225 0.72 FBP1 (0.60) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL21631226 0.72 FBP1 (0.60) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL2820854 0.72 FBP1 (1.00) FBP1PRMT1AKR1C3ALDH1A1TSHR

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
US-4997954-A Process for preparing substituted isoindolinone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-03-05 — — US disclosed
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