SCHEMBL8243741

SCHEMBL8243741

Cc1ccc(C(=O)c2c(C(=O)c3ccc(Cl)c(Cl)c3)no[n+]2O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
POLB P06746 1/20 0.42
IGFBP3 P17936 1/20 0.40
SRD5A2 P31213 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
PTPN7 P35236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL14765407 0.86 ALDH1A1 (0.61) NPC1RAB9AMAPTHPGDALDH1A1
SCHEMBL8251473 0.77 MAPT (0.62) NPC1RAB9AMAPTHPGDALDH1A1
SCHEMBL2924706 0.72 HPGD (0.54) NPC1RAB9AMAPTHPGDALDH1A1
SCHEMBL6322177 0.66 SRD5A2 (0.79) NPC1RAB9AMAPTHPGDHTT
SCHEMBL257653 0.66 ALDH1A1 (0.61) RAB9AMAPTHPGDALDH1A1HTT
SCHEMBL15100942 0.66 SRD5A2 (0.53) MAPTHPGDALDH1A1HTTMAPK1
SCHEMBL13176761 0.65 ATM (0.55) NPC1RAB9AMAPTHPGDALDH1A1
SCHEMBL15100551 0.64 MAPT (0.63) NPC1MAPTHPGDALDH1A1HTT
SCHEMBL257368 0.64 SMN1; SMN2 (0.56) NPC1RAB9AMAPTHPGDALDH1A1
SCHEMBL703716 0.63 HPGD (0.53) NPC1RAB9AHPGDALDH1A1HTT

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
WO-2006138428-A2 MODULATORS OF SPERM HYPERMOTILITY AND USES THEREOF HYDRA BIOSCIENCES, INC. (US) 2006-12-28 WO disclosed