SCHEMBL7674470

SCHEMBL7674470

O=C(O)C=Cc1ccc2nc3ccccc3nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.58
▸ HDAC3 O15379 2/20 0.55
▸ HDAC4 P56524 2/20 0.55
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC7 Q8WUI4 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC10 Q969S8 2/20 0.55
▸ HDAC11 Q96DB2 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ HDAC9 Q9UKV0 2/20 0.55
▸ HDAC5 Q9UQL6 2/20 0.55
▸ HCAR2 Q8TDS4 2/20 0.55
▸ TNKS O95271 1/20 0.55
▸ TNKS2 Q9H2K2 1/20 0.55
▸ IP6K1 Q92551 4/20 0.54
▸ IP6K3 Q96PC2 4/20 0.54
▸ IP6K2 Q9UHH9 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 3/20 0.54

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
SCHEMBL7674464 1.00 RAB9A (0.58) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL7673025 0.81 KDM4E (0.62) RAB9AIP6K1IP6K3IP6K2ALDH1A1
SCHEMBL7673022 0.81 KDM4E (0.62) RAB9AIP6K1IP6K3IP6K2ALDH1A1
Phenazine SCHEMBL28375190 0.79 ALDH1A1 (0.56) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL26634039 0.77 RAB9A (0.59) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL26634059 0.77 RAB9A (0.59) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30634275 0.77 TTR (0.59) RAB9AKDM4ECYP3A4CA12AKR1B10
SCHEMBL78426 0.77 RELA (0.62) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL78427 0.77 RELA (0.62) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL29462468 0.77 RELA (0.62) RAB9AHDAC3HDAC4HDAC1HDAC7

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
US-6420363-B1 Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2002-07-16 — — US claimed
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