SCHEMBL8551920

SCHEMBL8551920

Cc1oc2ccc(NC(=O)c3cccnc3Cl)cc2c1CCN(C)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8552759 0.86 ATM (0.46) ATMLMNAPOLBMAPTALDH1A1
SCHEMBL6668295 0.86 HTR1F (0.44) ATMLMNAPOLBALDH1A1KDM4E
SCHEMBL7144550 0.86 ATM (0.46) ATMLMNAPOLBMAPTALDH1A1
SCHEMBL8548549 0.69 HTR1F (0.50) POLBMAPTRAB9ASMN1; SMN2TP53
SCHEMBL8553330 0.68 NPC1 (0.38) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8550329 0.68 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7146399 0.67 HTR1F (0.61) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8548396 0.66 SMN1; SMN2 (0.38) LMNAPOLBMAPTALDH1A1KDM4E
Bromide SCHEMBL8550921 0.66 PPARG (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8549636 0.65 HTR1F (0.51) LMNAPOLBMAPTALDH1A1KDM4E

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