SCHEMBL13076864

SCHEMBL13076864

C=C(C)Nc1cccc(-n2cc(-c3nccs3)ccc2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 3/20 0.38
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK1 P04629 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
HDAC2 Q92769 2/20 0.35
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL10059546 0.91 GAA (0.41) PORCNMEN1NPC1ALDH1A1LMNA
SCHEMBL13580369 0.81 CYP17A1 (0.40) MAPTKMT2ACYP3A4
SCHEMBL13075262 0.78 CNR1 (0.38) MEN1LMNAKMT2AKCNK3KCNK9
SCHEMBL10059504 0.77 PDPK1 (0.53) ALDH1A1HDAC2ABL1BCRHDAC3
SCHEMBL13075035 0.76 HSD17B10 (0.53) NPC1ALDH1A1LMNARAB9A
SCHEMBL13284149 0.75 ACSS2 (0.38) MEN1ALDH1A1LMNAKMT2A
SCHEMBL13284321 0.75 BRD4 (0.45) HDAC1
SCHEMBL13284320 0.75 GAA (0.37) MEN1ALDH1A1MAPTKMT2AKCNK3
SCHEMBL10059845 0.73 RXFP1 (0.45) NPC1ALDH1A1MAPTRAB9A
SCHEMBL10079118 0.72 NOX4 (0.42) MEN1ALDH1A1LMNARAB9AKMT2A

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-2010135470-A1 PIFENIDONE DERIVATIVES FOR TREATING BRONCHIAL ASTHMA INTERMUNE, INC. (US) 2010-11-25 WO disclosed