SCHEMBL9039476

SCHEMBL9039476

NC(=Nc1ccccc1)c1sccc1OCCCC(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.51
NPC1 O15118 8/20 0.51
HPGD P15428 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6964818 0.75 HPGD (0.54) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL9470003 0.68 HPGD (0.63) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL9038935 0.68 NOS1 (0.49)
Iodide SCHEMBL6961838 0.67 NOS1 (0.48)
SCHEMBL6965844 0.67 USP2 (0.55) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL9470200 0.66 HPGD (0.59) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL9079165 0.66 KMT2A (0.65) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL6119956 0.64 NPC1 (0.65) RAB9ANPC1HPGDSMN1; SMN2KMT2A
Phenol SCHEMBL28293077 0.63 NPC1 (0.58) RAB9ANPC1HPGDSMN1; SMN2KMT2A
Benzene SCHEMBL28118471 0.62 ATM (0.63) RAB9ANPC1HPGDSMN1; SMN2KMT2A

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-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed