SCHEMBL9257627

SCHEMBL9257627

COC(=O)CCc1nc(-c2ccc(C3CCNCC3)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.44
HDAC4 P56524 6/20 0.44
HDAC1 Q13547 6/20 0.44
HDAC7 Q8WUI4 6/20 0.44
HDAC2 Q92769 6/20 0.44
HDAC10 Q969S8 6/20 0.44
HDAC11 Q96DB2 6/20 0.44
HDAC8 Q9BY41 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
HDAC9 Q9UKV0 6/20 0.44
HDAC5 Q9UQL6 6/20 0.44
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.41
RAB9A P51151 5/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9251433 0.82 ITGB3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9408021 0.81 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9408148 0.81 RAB9A (0.41) MAPK1MEN1RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL9407994 0.75 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9409381 0.74 HRH3 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL9258255 0.73 MEN1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9408004 0.72 DGAT1 (0.39) HDAC1HDAC2SMN1; SMN2TLR9TLR8
Hydrochloric Acid SCHEMBL9408052 0.72 HRH3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9407991 0.71 LMNA (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9409408 0.70 CYP4F2 (0.42) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed