SCHEMBL7574519

SCHEMBL7574519

c1ncc2ccc(OCC3CO3)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.55
▸ ALDH1A1 P00352 4/20 0.51
▸ TP53 P04637 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ FGFR1 P11362 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL12473682 0.85 EGFR (0.49) EGFRALDH1A1TP53SMN1; SMN2TDP1
SCHEMBL2475921 0.85 EGFR (0.49) EGFRALDH1A1TP53SMN1; SMN2TDP1
SCHEMBL12473677 0.85 EGFR (0.49) EGFRALDH1A1TP53SMN1; SMN2TDP1
SCHEMBL30480358 0.85 EGFR (0.49) EGFRALDH1A1TP53SMN1; SMN2TDP1
SCHEMBL2488995 0.82 EGFR (0.58) EGFRHDAC1HDAC6HDAC5
SCHEMBL31537010 0.79 ALDH1A1 (0.54) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL1715242 0.79 ALDH1A1 (0.71) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7966245 0.78 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7966243 0.78 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7966244 0.78 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4

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
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 — — WO disclosed
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