SCHEMBL7974226

SCHEMBL7974226

O=C(O)/C=C/c1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL7405031 0.85 MAP3K7 (0.44) KDM4ELMNACA1CA2MAP3K7
SCHEMBL7974225 0.83 APP (0.36) KDM4ELMNANR4A2MAP3K7TAB1
SCHEMBL8490705 0.81 TRPA1 (0.38) LMNANPC1POLBMAPK1MEN1
SCHEMBL2488026 0.80 P2RX7 (0.32) ALDH1A1KMT2A
SCHEMBL8487037 0.79
SCHEMBL7978927 0.77 AKR1C3 (0.42) RXRARXRBNR4A2RXRGMAPT
SCHEMBL1828996 0.76 KDM4E (0.39) KDM4ELMNAHCAR2TSHRSMN1; SMN2
SCHEMBL8585822 0.75 GPR52 (0.35) MAP3K7TAB1
SCHEMBL6821893 0.74 ALDH1A1 (0.37) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL7782729 0.71 HDAC3 (0.38) KDM4ELMNAHDAC3TNKSHDAC4

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
WO-2001081317-A1 CHIRAL IMIDAZOYL INTERMEDIATES FOR THE SYNTHESIS OF 2-(4-IMIDAZOYL)-CYCLOPROPYL DERIVATIVES GLIATECH, INC. (US) 2001-11-01 WO disclosed