SCHEMBL19568855

SCHEMBL19568855

O=C(COc1ccc(Cl)c(Cl)c1)NC12CC(C1)[C@H](NC(=O)c1ccc(OC(F)(F)F)cn1)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 12/20 0.43
▸ HCRTR1 O43613 3/20 0.40
▸ PTPRC P08575 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ PTPN13 Q12923 1/20 0.38
▸ PTPN22 Q9Y2R2 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL25813024 0.88 ATF4 (0.40) ATF4HCRTR1ALDH1A1HPGDTSHR
SCHEMBL25796964 0.88 ATF4 (0.40) ATF4HCRTR1ALDH1A1HPGDTSHR
SCHEMBL25812808 0.86 ALDH1A1 (0.46) ATF4KMT2AALDH1A1HPGDTSHR
SCHEMBL25812962 0.86 ATF4 (0.43) ATF4PTPRCPTPN1PTPN11PTPN13
SCHEMBL19555896 0.85 ATF4 (0.52) ATF4
SCHEMBL25804759 0.83 RXFP1 (0.43) ATF4MEN1KMT2AALDH1A1
SCHEMBL20992455 0.83 ATF4 (0.50) ATF4
SCHEMBL25781454 0.82 ALDH1A1 (0.37) ATF4HCRTR1KMT2AALDH1A1
SCHEMBL20992677 0.81 ATF4 (0.49) ATF4
SCHEMBL19568400 0.80 SSTR3 (0.44) ATF4MEN1KMT2AALDH1A1HPGD

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-2017193063-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES (US) 2017-11-09 — — WO disclosed
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