SCHEMBL11674847

SCHEMBL11674847

CC(=O)OC(CCl)CNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ MMP12 P39900 1/20 0.40
▸ SLC18A3 Q16572 1/20 0.39
▸ AR P10275 1/20 0.39

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
SCHEMBL11592483 0.83 MAPT (0.49) MAPTSMN1; SMN2HTTLMNAHSD17B10
SCHEMBL29280657 0.79 SMN1; SMN2 (0.49) SMN1; SMN2HTTLMNAHSD17B10ALDH1A1
SCHEMBL29280655 0.79 SMN1; SMN2 (0.44) MAPTSMN1; SMN2MMP12ALDH1A1MEN1
SCHEMBL14838657 0.78 DUT (0.42) LMNAHSD17B10TSHRHDAC3HDAC4
SCHEMBL11573154 0.77 KDM4E (0.52) MAPTSMN1; SMN2HTTLMNAHSD17B10
Water SCHEMBL11565814 0.77 MAPT (0.50) MAPTSMN1; SMN2HTTLMNATSHR
SCHEMBL11725068 0.76 TP53 (0.46) MAPTLMNAALDH1A1GAA
SCHEMBL6153940 0.75 ALDH1A1 (0.50) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL6154638 0.75 ALDH1A1 (0.50) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL6153937 0.75 ALDH1A1 (0.50) MAPTSMN1; SMN2HTTLMNAALDH1A1

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
US-4060544-A COUPLERS GAF CORPORATION (US) 1977-11-29 — — US disclosed
US-4039524-A Keto-amido containing phenylazo benzothiazole dyestuffs GAF CORPORATION (US) 1977-08-02 — — US disclosed
US-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 — — US disclosed
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