SCHEMBL30934865

SCHEMBL30934865

Nc1c(Cc2cccc(C(=O)O)c2N)cccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.59
CASP7 P55210 1/20 0.59
CASP6 P55212 1/20 0.59
HMGB1 P09429 2/20 0.50
ABCB11 O95342 1/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
ADORA1 P30542 1/20 0.49
PTGS2 P35354 1/20 0.49
MMP2 P08253 1/20 0.48
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
FOLH1 Q04609 1/20 0.46
NAPRT Q6XQN6 1/20 0.42
CLCN2 P51788 1/20 0.42
AKR1C3 P42330 1/20 0.42
CXCL12 P48061 1/20 0.42

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
SCHEMBL4444648 1.00 G6PD (0.59) G6PDCASP7CASP6HMGB1ABCB11
SCHEMBL3361331 0.89 TSHR (0.57) G6PDCASP7CASP6HMGB1ALDH1A1
SCHEMBL11548850 0.88 ALDH1A1 (0.52) G6PDCASP7CASP6ALDH1A1TSHR
SCHEMBL808482 0.86 G6PD (0.57) G6PDCASP7CASP6HMGB1ABCB11
SCHEMBL5965437 0.86 G6PD (0.57) G6PDCASP7CASP6HMGB1ABCB11
SCHEMBL3844490 0.86 G6PD (0.57) G6PDCASP7CASP6HMGB1ABCB11
SCHEMBL30762619 0.86 G6PD (0.57) G6PDCASP7CASP6HMGB1ABCB11
SCHEMBL6241910 0.84 ABCB11 (0.62) G6PDCASP7CASP6HMGB1ABCB11
SCHEMBL27902532 0.84 G6PD (0.55) G6PDCASP7CASP6HMGB1ABCB11
SCHEMBL27965749 0.84 G6PD (0.55) G6PDCASP7CASP6HMGB1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119365523-A Articles comprising a combination of polymer aerogel and melamine formaldehyde foam and related systems and methods 气凝胶科技有限责任公司 2025-01-24 CN disclosed
CN-119301182-A Crosslinking agent masterbatch, rubber composition containing same, and crosslinked product thereof 株式会社大阪曹达 2025-01-10 CN disclosed
CN-118108944-A Thermosetting imide resin composition, and uncured resin film, cured resin film, prepreg, substrate, and adhesive using same 信越化学工业株式会社 2024-05-31 CN disclosed