SCHEMBL5131241

SCHEMBL5131241

C=C(C(N)=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
AR P10275 1/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
POLB P06746 3/20 0.38
KMT2A Q03164 2/20 0.38
PRKCI P41743 1/20 0.38
HDAC3 O15379 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL5131245 0.88 HDAC6 (0.59) HDAC6KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL476588 0.83 AR (0.52) HDAC6KDM4ESMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL4541624 0.82 AR (0.51) HDAC6KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL8600378 0.81 HDAC6 (0.44) HDAC6KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL5947 0.78 KDM4E (0.53) HDAC6KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL10467022 0.78 HDAC6 (0.46) HDAC6KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL2725218 0.77 HDAC6 (0.49) HDAC6KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL563497 0.77 F2 (0.50) HDAC6KDM4EALDH1A1MAPTTDP1
SCHEMBL3776189 0.77 SLC2A1 (0.59) HDAC6KDM4ESMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL9928726 0.77 KDM4E (0.51) HDAC6KDM4ESMN1; SMN2ALDH1A1HTT

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-1673349-A4 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2008-01-23 EP disclosed
EP-1673349-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-06-28 EP disclosed
WO-2005028447-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-03-31 WO disclosed