SCHEMBL11565739

SCHEMBL11565739

Cc1ccc(NCCCc2ccccc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.51
HDAC1 Q13547 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
MAPT P10636 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL11566177 0.95 RAB9A (0.59) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL11563635 0.94 RAB9A (0.58) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL11561635 0.90 RAB9A (0.63) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL22202128 0.81 HPGD (0.70) KMT2AHPGDKDM4EHDAC6HDAC1
SCHEMBL11563461 0.80 NOS2 (0.58) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL11563180 0.80 ALDH1A1 (0.51) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL6645913 0.79 MAPT (0.53) RAB9ASMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL10604098 0.78 HCAR3 (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL11562872 0.78 HCAR3 (0.68) HPGDKDM4EHDAC1
SCHEMBL10737266 0.77 HRH3 (0.47) RAB9AKMT2AALDH1A1HPGDKDM4E

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-0000816-A1 Substituted amino-pyridine derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1979-02-21 EP disclosed