SCHEMBL14012005

SCHEMBL14012005

C=C(NC1CCCCC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.50
EPHX2 P34913 3/20 0.50
EPHX1 P07099 2/20 0.50
LMNA P02545 4/20 0.49
ALOX12 P18054 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.46
PKM P14618 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL22877114 0.98 RAB9A (0.53) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL8163321 0.87 GRM5 (0.55) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL8155738 0.84 GRM5 (0.54) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL17404928 0.81 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL28068579 0.81 KDM1A (0.42) RAB9ANPC1EPHX1LMNAMEN1
SCHEMBL19891369 0.79 RAB9A (0.49) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL4909831 0.79 RAB9A (0.56) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL22279371 0.78 NPC1 (0.66) RAB9ANPC1SMN1; SMN2EPHX2LMNA
SCHEMBL24673320 0.77 NPC1 (0.73) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL8396558 0.77 NPC1 (0.73) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed