SCHEMBL8084808

SCHEMBL8084808

CC(C)CN(C)CC(=O)Nc1ccc(CCSc2ccnc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
HTT P42858 3/20 0.38
PRNP P04156 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LTA4H P09960 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.37
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL8084839 0.78 AOC3 (0.34) HTR2CHTR2BBCHEABCB1
SCHEMBL8088287 0.76 CYP17A1 (0.46) HTR2CHTR2BRAB9AKMT2A
SCHEMBL8084817 0.73 HTR2C (0.43) HTR2CHTR2BALDH1A1LMNASMN1; SMN2
SCHEMBL8084767 0.67 RAB9A (0.50) HTR2CHTR2BALDH1A1LMNASMN1; SMN2
SCHEMBL8084810 0.65 CHEK2 (0.46) LTA4HLMNASMN1; SMN2BCHE
SCHEMBL22303101 0.65 RXFP1 (0.52) HTTPRNPALDH1A1LMNASMN1; SMN2
SCHEMBL8076715 0.65 ALDH1A1 (0.32) ALDH1A1RAB9AABCB1MAPTKMT2A
SCHEMBL24827561 0.64 ALDH1A1 (0.60) HTTALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL13601938 0.64 HTR1A (0.43) MAPT
SCHEMBL14641227 0.62 HTR1A (0.46) HTTPRNPSMN1; SMN2RAB9APOLB

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-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed