SCHEMBL28377067

SCHEMBL28377067

CC(C)(C)c1ccc(NC(=O)c2cccn(Cc3ccc(C(=O)NO)cc3)c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ MAPT P10636 9/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ HDAC8 Q9BY41 3/20 0.57
▸ HDAC6 Q9UBN7 3/20 0.57
▸ HDAC3 O15379 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.57
▸ HDAC4 P56524 1/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ HDAC10 Q969S8 1/20 0.57
▸ HDAC9 Q9UKV0 1/20 0.57
▸ HDAC5 Q9UQL6 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 5/20 0.55

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
SCHEMBL28377019 0.88 POLB (0.65) POLBRXFP1MAPTSMN1; SMN2RAB9A
SCHEMBL28381789 0.88 RXFP1 (0.65) POLBRXFP1MAPTSMN1; SMN2RAB9A
SCHEMBL28380865 0.88 MAPT (0.79) POLBRXFP1MAPTSMN1; SMN2RAB9A
SCHEMBL28377022 0.86 RAB9A (0.65) POLBRXFP1MAPTSMN1; SMN2RAB9A
SCHEMBL28381246 0.84 MAPT (0.68) POLBRXFP1MAPTSMN1; SMN2RAB9A
SCHEMBL28381515 0.83 KDM4E (0.58) POLBRXFP1MAPTSMN1; SMN2RAB9A
SCHEMBL28383660 0.81 HDAC6 (0.62) POLBRXFP1MAPTSMN1; SMN2RAB9A
SCHEMBL28381588 0.81 KDM4E (0.55) POLBRXFP1MAPTSMN1; SMN2RAB9A
SCHEMBL28377747 0.80 MAPT (0.67) POLBRXFP1MAPTSMN1; SMN2RAB9A
SCHEMBL28376729 0.79 MAPT (0.80) POLBRXFP1MAPTSMN1; SMN2RAB9A

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-110938055-A Six-membered ring formamide compound and synthesis method and application thereof 华东师范大学 2020-03-31 — — CN claimed
CN-110938055-A Six-membered ring formamide compound and synthesis method and application thereof 华东师范大学 2020-03-31 — — CN disclosed
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