SCHEMBL16649684

SCHEMBL16649684

NCC[CH]c1cccc(Cl)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 2/20 0.43
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
FEN1 P39748 1/20 0.37
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ADRA2A P08913 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 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
SCHEMBL9903830 0.87 ALDH1A1 (0.42) PBRM1ALDH1A1HPGDTSHRFEN1
SCHEMBL3954166 0.83 ALDH1A1 (0.42) PBRM1ALDH1A1HPGDTSHRFEN1
SCHEMBL15774546 0.82 ALDH1A1 (0.41) PBRM1ALDH1A1HPGDTSHRFEN1
SCHEMBL12497303 0.81 CDC7 (0.34) PBRM1KMT2A
SCHEMBL320037 0.74 ALDH1A1 (0.61) PBRM1ALDH1A1HPGDTSHRFEN1
SCHEMBL14813627 0.73 KDM4E (0.45) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL29008206 0.72 ALDH1A1 (0.58) PBRM1ALDH1A1HPGDTSHRFEN1
SCHEMBL5740425 0.72 ALDH1A1 (0.41) PBRM1ALDH1A1HPGDTSHRFEN1
SCHEMBL27701506 0.70 PNMT (0.55) PBRM1ALDH1A1HPGDTSHRFEN1
SCHEMBL9902783 0.70 CES2 (0.44) PBRM1ITGB2ICAM1ITGALMEN1

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
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed