SCHEMBL4715098

SCHEMBL4715098

COc1cccc(OC)c1CN1Cc2ccccc2N=C1NC1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 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
Hydrochloric Acid SCHEMBL3209458 0.99 HPGD (0.41) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4761749 0.78 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4715041 0.78 EGFR (0.39) HPGDSMN1; SMN2TP53TSHRPDGFRB
Hydrochloric Acid SCHEMBL3214937 0.77 EGFR (0.38) HPGDSMN1; SMN2TP53TSHRLCK
SCHEMBL4718142 0.76 MEN1 (0.59) MEN1KMT2A
SCHEMBL4714175 0.76 SIGMAR1 (0.44) HPGDALDH1A1MAPT
SCHEMBL4717086 0.75 SMN1; SMN2 (0.42) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4714040 0.75 MEN1 (0.41) AURKAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3218715 0.74 MEN1 (0.41) AURKAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3198075 0.74 SMN1; SMN2 (0.43) HPGDRAB9ASMN1; SMN2NPC1TP53

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
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed