SCHEMBL27890180

SCHEMBL27890180

Cc1cc(N)c2cc(Oc3ccc(F)cc3)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.62
▸ CASP1 P29466 1/20 0.62
▸ CASP7 P55210 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ NCF1 P14598 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ GPR35 Q9HC97 1/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ GNG2 P59768 1/20 0.46
▸ GNB1 P62873 1/20 0.46
▸ GCK P35557 2/20 0.46
▸ TERT O14746 2/20 0.45
▸ NQO2 P16083 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ UBE2N P61088 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44

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
SCHEMBL4748820 0.88 ALDH1A1 (0.66) ALDH1A1CASP1CASP7HSD17B10NCF1
SCHEMBL439684 0.86 NCF1 (0.59) ALDH1A1CASP1CASP7HSD17B10NCF1
SCHEMBL4744417 0.82 KMT2A (0.47) ALDH1A1CASP1CASP7HSD17B10KMT2A
SCHEMBL4748376 0.82 LMNA (0.55) ALDH1A1CASP1CASP7HSD17B10KMT2A
SCHEMBL437286 0.80 HSD17B10 (0.71) ALDH1A1CASP1CASP7HSD17B10NCF1
SCHEMBL27906713 0.78 ALDH1A1 (0.65) ALDH1A1CASP1CASP7HSD17B10NCF1
SCHEMBL3792331 0.78 ALDH1A1 (0.44) ALDH1A1CASP1CASP7HSD17B10NCF1
SCHEMBL439264 0.78 HSD17B10 (0.64) ALDH1A1CASP1CASP7HSD17B10NCF1
SCHEMBL3471999 0.77 ALDH1A1 (1.00) ALDH1A1CASP1CASP7HSD17B10NCF1
SCHEMBL439655 0.76 ALDH1A1 (0.80) ALDH1A1CASP1CASP7HSD17B10NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102933212-A Novel combination and use HELPERBY THERAPEUTICS LTD 2013-02-13 — — CN claimed
CN-102933212-A Novel combination and use HELPERBY THERAPEUTICS LTD 2013-02-13 — — CN disclosed
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