SCHEMBL4750480

SCHEMBL4750480

CC(O)C(Oc1cc(Br)cc2c1OC(C)(C)C2)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
IGF1R P08069 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MMP2 P08253 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PANK3 Q9H999 1/20 0.36

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
SCHEMBL4750479 0.81 MAPT (0.56) ALDH1A1MAPTIGF1RMEN1KMT2A
Hydrochloric Acid SCHEMBL4789017 0.77 KCNH2 (0.49)
SCHEMBL4812505 0.76 LMNA (0.41) ALDH1A1MAPK1RAB9ALMNATSHR
Hydrochloric Acid SCHEMBL4787404 0.76 KCNH2 (0.51)
SCHEMBL4750439 0.75 SMN1; SMN2 (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20553426 0.72 RECQL (0.48) MAPTMEN1KMT2AMAPK1LMNA
Hydrochloric Acid SCHEMBL4788931 0.68 GAA (0.53) ALDH1A1MAPTIGF1RMEN1KMT2A
SCHEMBL20553388 0.68 MAPT (0.43) ALDH1A1MAPTKDM4EPOLBMAPK1
SCHEMBL4754022 0.67 OPRM1 (0.49)
SCHEMBL4750865 0.67 HTR1A (0.48) ALDH1A1MEN1KMT2AKDM4ELMNA

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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO claimed
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed