SCHEMBL8552759

SCHEMBL8552759

Cc1sc2ccc(NC(=O)c3cccnc3Cl)cc2c1CCN(C)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
IKBKB O14920 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 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
SCHEMBL8551920 0.86 ATM (0.46) ATMLMNAPOLBMAPTALDH1A1
SCHEMBL7144550 0.85 ATM (0.46) ATMLMNAPOLBMAPTALDH1A1
SCHEMBL6668295 0.77 HTR1F (0.44) ATMLMNAPOLBALDH1A1KDM4E
SCHEMBL7146399 0.66 HTR1F (0.61) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL8552249 0.63 F2R (0.43) LMNAPOLBMAPTALDH1A1KDM4E
SCHEMBL8551467 0.63 GRM5 (0.36) LMNAMAPTALDH1A1KDM4ENPC1
SCHEMBL3118074 0.62 HTT (0.60) ATMLMNAMAPTALDH1A1KDM4E
Malonic Acid SCHEMBL8548925 0.62 HTR1F (0.47) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL18073562 0.61 MEN1 (0.62) ATMLMNAMAPTALDH1A1KDM4E
SCHEMBL3123474 0.61 KDR (0.64) ATMMAPTALDH1A1NPC1RAB9A

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-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed