SCHEMBL10835933

SCHEMBL10835933

COC(c1ccc(N(C)C)cc1)c1c(C)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.60
KDM1A O60341 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MLKL Q8NB16 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
SCHEMBL10835936 0.86 VDR (0.57) VDRKDM1AMAPTMEN1USP2
SCHEMBL10835374 0.86 VDR (0.56) VDRKDM1AMAPTMEN1USP2
SCHEMBL10835327 0.84 VDR (0.49) VDRMAPTMEN1USP2ALDH1A1
SCHEMBL10836141 0.83 VDR (0.50) VDRKDM1AMAPTMEN1USP2
SCHEMBL10834734 0.83 VDR (0.59) VDRKDM1AMAPTTP53
SCHEMBL10835615 0.83 VDR (0.63) VDRKDM1AMAPTMEN1USP2
SCHEMBL11798982 0.83 VDR (0.66) VDRKDM1AMAPTMEN1USP2
SCHEMBL10835901 0.77 MAPT (0.61) VDRMAPTMEN1ALDH1A1KMT2A
SCHEMBL10835902 0.77 VDR (0.46) VDRKDM1AMAPTTP53
SCHEMBL15862031 0.75 VDR (1.00) VDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4618684-A Substituted indoles THE HILTON-DAVIS CHEMICAL CO. (US) 1986-10-21 US disclosed
US-4485242-A PRESSURE SENSITIVE CARBONLESS REPRODUCTION STERLING DRUG INC. (US) 1984-11-27 US disclosed
EP-0035774-A2 Indoles, process for preparing them and duplicating or marking systems containing them STERLING DRUG INC. (US) 1981-09-16 EP disclosed