SCHEMBL14132280

SCHEMBL14132280

N=C(N)c1ccc(C(=O)NCCSc2cccc(C(=N)N)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 6/20 0.62
▸ NPC1 O15118 7/20 0.61
▸ RAB9A P51151 7/20 0.61
▸ SMN1; SMN2 Q16637 7/20 0.61
▸ RECQL P46063 1/20 0.61
▸ NFKB1 P19838 2/20 0.54
▸ NFKB2 Q00653 2/20 0.54
▸ RELA Q04206 2/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ HPGD P15428 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51

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
Trifluoroacetic Acid SCHEMBL3896058 0.92 F10 (0.57) F10NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL3909803 0.86 F10 (0.52) F10NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL14132304 0.76 F10 (1.00) F10NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14132044 0.75 F10 (0.93) F10NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3905687 0.75 F10 (0.84) F10NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5540645 0.73 MAPK1 (0.58) F10NPC1RAB9AALDH1A1F2
SCHEMBL5541960 0.73 SMN1; SMN2 (0.61) F10SMN1; SMN2PLGPROCLMNA
SCHEMBL3897912 0.73 RAB9A (0.56) NPC1RAB9ASMN1; SMN2RECQLNFKB1
SCHEMBL14599607 0.72 F10 (0.63) F10NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14132141 0.72 F10 (0.90) F10NPC1RAB9ASMN1; SMN2HPGD

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
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
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