SCHEMBL9778341

SCHEMBL9778341

CNc1ccc(C(=O)NCCS(=O)(=O)CCCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 2/20 0.50
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PPARD Q03181 1/20 0.39
NFKB1 P19838 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 1/20 0.39
KCNH2 Q12809 1/20 0.38
CA2 P00918 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8516959 0.87 HDAC3 (0.51) HDAC3HDAC1HDAC2KDM4EKMT2A
SCHEMBL10624702 0.86 SMN1; SMN2 (0.43) KDM4EKMT2ASMN1; SMN2ALDH1A1PPARD
SCHEMBL9339407 0.86 HDAC3 (0.43) HDAC3HDAC1KDM4EKMT2ASMN1; SMN2
SCHEMBL9337533 0.82 LMNA (0.49) HDAC3HDAC1HDAC2KDM4EKMT2A
SCHEMBL9336294 0.82 PPARD (0.41) KDM4EKMT2AALDH1A1PPARDNFKB1
SCHEMBL10624683 0.82 L3MBTL1 (0.55) KMT2ASMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL24051577 0.82 HDAC3 (0.58) HDAC3HDAC1HDAC2KDM4EKMT2A
Hydrochloric Acid SCHEMBL8692099 0.81 LMNA (0.50) HDAC3HDAC1HDAC2KDM4EKMT2A
SCHEMBL9337317 0.79 SMN1; SMN2 (0.47) HDAC3HDAC1HDAC2KDM4ESMN1; SMN2
SCHEMBL9317042 0.77 HDAC3 (0.50) HDAC3HDAC1HDAC2KDM4EKMT2A

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-5023325-A Colorfastness, photostability CIBA-GEIGY CORPORATION (US) 1991-06-11 US disclosed