SCHEMBL4592734

SCHEMBL4592734

NC1CNCCN1C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
JAK3 P52333 1/20 0.44
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL3721248 0.83 POLB (0.60) POLBNPC1RAB9ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL3713052 0.82 POLB (0.58) POLBNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5190567 0.80 POLB (0.50) POLBKDM4EMEN1KMT2A
SCHEMBL14698727 0.80 POLB (0.52) POLBNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL27428109 0.78 SIGMAR1 (0.54) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL17372632 0.77 POLB (0.49) POLBNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL8760671 0.77 POLB (0.49) POLBNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3433977 0.77 SMN1; SMN2 (0.65) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3431817 0.74 CYP2C19 (0.57) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4725610 0.74 P2RX7 (0.55) POLBNPC1RAB9ASMN1; SMN2MEN1

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
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed