SCHEMBL4858523

SCHEMBL4858523

O=C1N(c2ccccc2)CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HSD11B1 P28845 1/20 0.42
SIGMAR1 Q99720 4/20 0.38
ALDH1A1 P00352 2/20 0.38
OPRM1 P35372 1/20 0.37
KCNH2 Q12809 1/20 0.37
CNR1 P21554 1/20 0.37
ELANE P08246 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
SCHEMBL10677083 0.73 L3MBTL1 (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2491070 0.68 SIGMAR1 (0.39) SIGMAR1CNR1
SCHEMBL22365592 0.68 MAPT (0.48) RAB9ANPC1MAPTHSD11B1SIGMAR1
SCHEMBL19245411 0.67 TSHR (0.41) MEN1KMT2AALDH1A1OPRM1
SCHEMBL6733713 0.67 HSD11B1 (0.56) RAB9ANPC1MEN1KMT2ADDB1
SCHEMBL22147808 0.67 HSD11B1 (0.56) RAB9ANPC1MEN1KMT2ADDB1
SCHEMBL9578136 0.67 RAB9A (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL15657386 0.66 CFTR (0.45) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL9834330 0.66 KMT2A (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10570089 0.66 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2GAAMAPT

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-2008157537-A2 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC (US) 2008-12-24 WO claimed
WO-2008157537-A2 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC (US) 2008-12-24 WO disclosed
WO-2008124505-A2 SOLUBLE GUANYLATE CYCLASE (SGC) MODULATORS FOR TREATMENT OF LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS,INC. (US) 2008-10-16 WO disclosed