SCHEMBL39333

SCHEMBL39333

O=C(Cc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1)NCc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
FFAR1 O14842 1/20 0.41
WDR5 P61964 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.38
P2RX7 Q99572 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL44472 0.84 HTT (0.40) KMT2ATSHRMAPK1HTT
SCHEMBL44314 0.82 HDAC4 (0.42) ALDH1A1LMNAHTT
SCHEMBL44565 0.81 HPGD (0.51) ALDH1A1SMN1; SMN2KMT2ATSHRHTT
SCHEMBL45068 0.81 HPGD (0.38) ALDH1A1KMT2ATSHR
SCHEMBL44623 0.81 FFAR1 (0.42) ALDH1A1SMN1; SMN2KMT2ATSHRFFAR1
SCHEMBL44354 0.81 HPGD (0.45) ALDH1A1SMN1; SMN2KMT2ATSHRHTT
SCHEMBL45433 0.80 GLA (0.37) ALDH1A1KMT2AFFAR1NPC1RAB9A
SCHEMBL44594 0.80 HTR1A (0.39) ALDH1A1KMT2ALMNAHTT
SCHEMBL13844940 0.80 MAPT (0.46) KMT2ATSHRLMNATHRB
SCHEMBL44310 0.79 HPGD (0.50) ALDH1A1SMN1; SMN2KMT2ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed