SCHEMBL30058396

SCHEMBL30058396

c1ccc2c(c1)[nH]c1cc3c(cc12)CCN3CCn1cncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.41
▸ EGLN3 Q9H6Z9 1/20 0.40
▸ AHR P35869 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP19A1 P11511 6/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34

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
SCHEMBL23875554 1.00 KIF11 (0.41) KIF11EGLN3AHRALDH1A1ALOX15
SCHEMBL30059977 0.87 CYP19A1 (0.41) KIF11ALDH1A1CYP19A1MAPTMAPK1
SCHEMBL23875119 0.87 CYP19A1 (0.41) KIF11ALDH1A1CYP19A1MAPTMAPK1
SCHEMBL30061199 0.85 CYP19A1 (0.36) EGLN3ALDH1A1ALOX15MEN1USP2
SCHEMBL23875120 0.85 CYP19A1 (0.36) EGLN3ALDH1A1ALOX15MEN1USP2
SCHEMBL25783424 0.80 KDM4E (0.42) KIF11AHRALDH1A1ALOX15MEN1
SCHEMBL23875667 0.80 ALDH1A1 (0.31) EGLN3ALDH1A1ALOX15CYP19A1TSHR
SCHEMBL30060718 0.78 EGLN3 (0.38) KIF11EGLN3AHRALDH1A1CYP19A1
SCHEMBL23875108 0.78 EGLN3 (0.38) KIF11EGLN3AHRALDH1A1CYP19A1
SCHEMBL23580232 0.72 TSHR (0.41) ALDH1A1ALOX15MEN1USP2CDK4

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-115335046-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-11-11 — — CN disclosed
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