SCHEMBL11115568

SCHEMBL11115568

ISc1nnc2ccccn12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
KDM4E B2RXH2 7/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HSD17B10 Q99714 3/20 0.45

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
SCHEMBL903215 0.80 LMNA (0.54) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL4870340 0.77 RAB9A (0.53) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL12125640 0.76 LMNA (0.66) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL10571493 0.73 RAB9A (0.60) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL10575793 0.73 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL20363016 0.72 KDM4E (0.55) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL11188407 0.72 RAB9A (0.62) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL5818702 0.72 RAB9A (0.58) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL1579458 0.72 LMNA (0.47) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL1520044 0.71 RAB9A (0.69) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1

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-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed