SCHEMBL5019750

SCHEMBL5019750

CC1=C(c2ccc(NC(=O)c3ccccc3Cl)nc2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
PTBP1 P26599 1/20 0.43
DYRK1A Q13627 2/20 0.43
GSK3B P49841 1/20 0.42
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
F10 P00742 2/20 0.39
WDR5 P61964 1/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 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
SCHEMBL3823860 0.90 NPC1 (0.48) SMN1; SMN2TP53GAADYRK1AGSK3B
SCHEMBL1781784 0.88 SMO (0.44) SMN1; SMN2LMNARAB9ANPC1ALDH1A1
SCHEMBL3823063 0.87 L3MBTL1 (0.40) ALDH1A1HTTKMT2AMEN1
SCHEMBL5019599 0.87 SMN1; SMN2 (0.40) SMN1; SMN2TP53GAADYRK1AGSK3B
SCHEMBL5019711 0.84 GRM5 (0.40) DYRK1AGSK3BF10
SCHEMBL3823169 0.84 HTR1F (0.44) SMN1; SMN2TP53LMNAGAADYRK1A
SCHEMBL5005018 0.84 IL2 (0.41) SMN1; SMN2TP53GAADYRK1AGSK3B
SCHEMBL10819914 0.83 NPC1 (0.40) SMN1; SMN2TP53GAADYRK1AGSK3B
SCHEMBL5019716 0.81 RAB9A (0.47) SMN1; SMN2TP53LMNARAB9ANPC1
SCHEMBL16472095 0.81 IL2 (0.37) SMN1; SMN2TP53GAADYRK1AGSK3B

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-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 WO disclosed