SCHEMBL8647807

SCHEMBL8647807

CC(=O)NCc1cccc(C(=O)CBr)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ HDAC3 O15379 1/20 0.59
▸ HDAC4 P56524 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC10 Q969S8 1/20 0.59
▸ HDAC11 Q96DB2 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC9 Q9UKV0 1/20 0.59
▸ HDAC5 Q9UQL6 1/20 0.59
▸ GSK3B P49841 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ NR1H4 Q96RI1 1/20 0.45
▸ MMP13 P45452 1/20 0.44

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
SCHEMBL8646446 0.83 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3530258 0.82 KMT2A (0.64) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1899410 0.81 NPSR1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL14677951 0.81 NOS2 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL2828029 0.81 F10 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL13222201 0.80 ALDH1A1 (0.70) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19634740 0.79 LOXL2 (0.64) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19634801 0.79 SLC7A5 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4344951 0.78 GSK3B (0.53) GSK3BPTPN1
SCHEMBL30988817 0.78 GSK3B (0.53) GSK3BPTPN1

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
EP-0545376-B1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO (JP) 1998-09-09 — — EP disclosed
US-5532258-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 — — US disclosed
EP-0545376-A1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 — — EP disclosed
Send feedback