SCHEMBL7547757

SCHEMBL7547757

C=C[CH]c1nncc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ TP53 P04637 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ GOT1 P17174 2/20 0.44
▸ MPO P05164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ AOX1 Q06278 1/20 0.44
▸ ACOX1 Q15067 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ BLM P54132 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
SCHEMBL5436460 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL6008542 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL291352 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL224748 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL8152019 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL30827215 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL8525289 0.72 PLAU (0.47) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL4254162 0.71 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL4254166 0.71 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL9114290 0.70 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4ETP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002043680-A1 FIXATION OF CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 — — WO disclosed
WO-2002043678-A2 ENZYMATIC FIXATION OF DERIVATISED CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 — — WO disclosed
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