SCHEMBL10773502

SCHEMBL10773502

O=C(Cl)Oc1ccc(OC(=O)Cl)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ESR1 P03372 4/20 0.43
▸ ESR2 Q92731 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41

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
SCHEMBL8066294 0.91 GAA (0.50) TSHRRAB9ANPC1LMNANPSR1
SCHEMBL878536 0.83 ALDH1A1 (0.61) RAB9ATDP1KMT2AGAAHSD17B10
SCHEMBL5696260 0.82 SERPINE1 (0.43) TSHRLMNATDP1ESR1KMT2A
SCHEMBL30524282 0.82 SERPINE1 (0.43) TSHRLMNATDP1ESR1KMT2A
SCHEMBL9257525 0.78 LDHA (0.49) RAB9ANPC1LMNATDP1KMT2A
SCHEMBL7197218 0.78 NCEH1 (0.46) RAB9ANPC1LMNATDP1GAA
SCHEMBL2638148 0.78 ESR1 (0.48) TSHRRAB9ANPC1LMNAPKM
SCHEMBL9035250 0.77 LMNA (0.44) TSHRLMNAHSD17B10SMN1; SMN2MAPT
SCHEMBL11863351 0.77 NCEH1 (0.65) TSHRRAB9ANPC1LMNANPSR1
SCHEMBL4444465 0.76 HTT (0.61) TSHRRAB9ANPC1LMNAPKM

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
EP-0246551-A2 Bis-benzoxazolylnaphthalenes containing sulfonate or sulfonamide groups, process for their preparation, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-25 — — EP claimed
EP-0002030-B1 FLUORINATED BENZAZOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-30 — — EP disclosed
EP-0002030-A1 Fluorinated benzazole derivatives, method for their preparation and their use as optical brighteners HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-30 — — EP disclosed
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