SCHEMBL8034844

SCHEMBL8034844

CCOC(=O)c1c(CC)nc(-c2ccc(Cl)cc2)nc1NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.46
ALOX15 P16050 1/20 0.43
FAAH O00519 3/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.40
NR2F2 P24468 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
S1PR2 O95136 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 1/20 0.40
PPP1CA P62136 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8043493 0.88 PLA2G1B (0.45) NPSR1KDM4EPLA2G1BATG4BRXRA
SCHEMBL8040593 0.82 TSHR (0.47) ALDH1A1LMNANPSR1TSHRMEN1
SCHEMBL8025168 0.81 TSHR (0.44) CASP3ALDH1A1LMNANPSR1TSHR
SCHEMBL8038516 0.80 NPSR1 (0.39) ALOX15ALDH1A1NPSR1TSHRKDM4E
SCHEMBL8038586 0.78 ALDH1A1 (0.45) ALDH1A1LMNANPSR1TSHRMEN1
SCHEMBL8040307 0.78 GABRA2 (0.49) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL5127225 0.78 MEN1 (0.46) CASP3ALOX15ALDH1A1LMNANPSR1
SCHEMBL8037289 0.76 GABRA2 (0.44) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8037126 0.76 PLA2G1B (0.41) ALOX15ALDH1A1LMNANPSR1TSHR
SCHEMBL8031870 0.74 SLC6A3 (0.42) ALOX15ALDH1A1LMNAMAPTNPC1

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-2009080242-A1 SUBSTITUTED 4-AMINOPYRIMIDINE-5-CARBOXYLIC ACID AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed