SCHEMBL3855952

SCHEMBL3855952

COC(=O)c1ccc(-c2ccn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.35
HDAC3 O15379 9/20 0.35
HDAC4 P56524 9/20 0.35
HDAC7 Q8WUI4 9/20 0.35
HDAC2 Q92769 9/20 0.35
HDAC10 Q969S8 9/20 0.35
HDAC11 Q96DB2 9/20 0.35
HDAC8 Q9BY41 9/20 0.35
HDAC6 Q9UBN7 9/20 0.35
HDAC9 Q9UKV0 9/20 0.35
HDAC5 Q9UQL6 9/20 0.35
FAAH O00519 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH1 P35367 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3848407 0.84 HRH1 (0.31) FAAHHRH1
SCHEMBL3850431 0.79
SCHEMBL3855945 0.79 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3846831 0.74 GAA (0.34) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL3844461 0.71 TGFBR1 (0.32)
SCHEMBL5903687 0.64 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27633896 0.64 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903949 0.64 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903863 0.63 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903871 0.63 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed