SCHEMBL7901763

SCHEMBL7901763

S=C(NCCCCCCc1ccccc1)Nc1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
MAPT P10636 6/20 0.63
LMNA P02545 5/20 0.63
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
MEN1 O00255 4/20 0.63
HTT P42858 2/20 0.63
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
HRH2 P25021 1/20 0.58
BCL6 P41182 1/20 0.58
CA9 Q16790 1/20 0.57
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.56
LSS P48449 1/20 0.54

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
SCHEMBL7904143 1.00 KMT2A (0.71) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6959672 0.88 RAB9A (0.79) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7966915 0.87 CA9 (0.54) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL8915063 0.84 CA9 (0.58) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL8915308 0.83 CA9 (0.60) KMT2ALMNAALDH1A1RAB9ANPC1
SCHEMBL19420177 0.82 RAB9A (0.79) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6816412 0.82 KMT2A (0.73) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8916892 0.81 L3MBTL1 (0.56) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8916068 0.81 L3MBTL1 (0.56) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8916496 0.81 L3MBTL1 (0.56) KMT2AMAPTLMNAALDH1A1SMN1; SMN2

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
US-6197797-B1 ANTICANCER AGENTS; SKIN DISORDERS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-03-06 US disclosed