SCHEMBL9871024

SCHEMBL9871024

O=C(O)C=Cc1cccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 13/20 0.49
NPSR1 Q6W5P4 1/20 0.47
HDAC3 O15379 1/20 0.44
TNKS O95271 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PIM1 P11309 2/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9871021 1.00 PIM2 (0.49) PIM2NPSR1HDAC3TNKSHDAC4
SCHEMBL9336274 0.89 CYP1A2 (0.38) PIM2NPSR1HDAC1HDAC2HDAC8
SCHEMBL9873211 0.89 CYP1A2 (0.38) PIM2NPSR1HDAC1HDAC2HDAC8
SCHEMBL9870552 0.85 TTR (0.44) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9870550 0.85 TTR (0.44) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9472737 0.84 CASP3 (0.42) NPSR1HDAC1HDAC6PKML3MBTL1
SCHEMBL9871317 0.83 ESR1 (0.46) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL9871321 0.83 ESR1 (0.46) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL9874488 0.82 TTR (0.47) ALDH1A1
SCHEMBL9874485 0.82 TTR (0.47) ALDH1A1

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
US-5064959-A Photoinitiators HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed