SCHEMBL4494003

SCHEMBL4494003

CN(C)CCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2-c2ccccc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.40
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
CXCR1 P25024 1/20 0.37
KDR P35968 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL3223567 0.90 LSS (0.41) LSSALDH1A1POLBTSHRKMT2A
SCHEMBL4492293 0.87 ALDH1A1 (0.37) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4475964 0.87 ALDH1A1 (0.42) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4811916 0.84 ALDH1A1 (0.47) ALDH1A1POLBTSHRKMT2AEGLN2
SCHEMBL1477715 0.83 LSS (0.40) LSSCXCR1KDRKDM4EHRH3
SCHEMBL4488294 0.83 ALDH1A1 (0.34) ALDH1A1POLBTSHRKMT2AEGLN2
SCHEMBL973763 0.80 ALDH1A1 (0.43) ALDH1A1POLBTSHRKMT2AUBE2M
SCHEMBL7165653 0.78 ALDH1A1 (0.42) ALDH1A1POLBTSHRKMT2AEGLN2
SCHEMBL4488290 0.78 PDE2A (0.35) EGLN2HRH3
SCHEMBL4494835 0.78 PDE2A (0.35) EGLN2HRH3

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
US-7507739-B2 6-[(substituted)phenyl]triazolopyrimidines as anticancer agents WYETH (US) 2009-03-24 US disclosed
EP-1680425-B1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2007-01-10 EP disclosed