SCHEMBL1737684

SCHEMBL1737684

COc1ccc(Cn2c(C)c(C)c3ccnc(-c4ccc(Cl)cc4)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
CLK4 Q9HAZ1 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL1737126 1.00 TP53 (0.47) TP53ALDH1A1MAPTCLK4MEN1
Hydrochloric Acid SCHEMBL1737366 0.99 TP53 (0.47) TP53ALDH1A1MAPTCLK4MEN1
Hydrochloric Acid SCHEMBL1737958 0.99 TP53 (0.47) TP53ALDH1A1MAPTCLK4MEN1
SCHEMBL1739797 0.95 ALDH1A1 (0.46) TP53ALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1735548 0.94 ALDH1A1 (0.44) TP53ALDH1A1MAPTMEN1KMT2A
SCHEMBL1737422 0.92 LMNA (0.46) TP53ALDH1A1MAPTMEN1KMT2A
SCHEMBL1738530 0.92 KDM4E (0.46) ALDH1A1MAPTMEN1KMT2ACLK1
Hydrochloric Acid SCHEMBL1736621 0.91 LMNA (0.46) TP53ALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1736616 0.91 KDM4E (0.44) ALDH1A1MAPTMEN1KMT2ACLK1
SCHEMBL1738913 0.90 ALDH1A1 (0.47) TP53ALDH1A1MAPTMEN1KMT2A

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
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed