SCHEMBL7676263

SCHEMBL7676263

CCOc1cc(OCC)c(NC(=O)N(S)c2ccc(C(N)=O)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 2/20 0.40
PARP10 Q53GL7 1/20 0.40
KDM4E B2RXH2 3/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RORC P51449 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6815576 0.85 KDM4E (0.52) LMNASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7982336 0.84 RXRA (0.39) LMNAMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL7639437 0.83 ALDH1A1 (0.43) LMNAMAPK1SMN1; SMN2KDM4EMEN1
SCHEMBL6815477 0.80 RORC (0.53) LMNAHTTKDM4EMEN1KMT2A
SCHEMBL6816478 0.80 RORC (0.53) LMNAHTTKDM4EMEN1KMT2A
SCHEMBL6814925 0.79 SMN1; SMN2 (0.44) LMNAMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL7676258 0.78 ALDH1A1 (0.61) LMNAHTTKDM4EMEN1KMT2A
SCHEMBL6814321 0.74 KDM4E (0.41) LMNAHTTRAB9ASMN1; SMN2PARP10
SCHEMBL7592688 0.74 SMN1; SMN2 (0.49) LMNAHTTNPC1RAB9ASMN1; SMN2
SCHEMBL7938420 0.74 RAB9A (0.45) LMNANPC1RAB9AKDM4EMEN1

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-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed