SCHEMBL9030474

SCHEMBL9030474

CCCCNC(=O)c1ccc(C(=N)N)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
NAAA Q02083 2/20 0.57
CA2 P00918 1/20 0.56
MLYCD O95822 1/20 0.54
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.53
F10 P00742 3/20 0.52
PRSS1 P07477 1/20 0.52
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5540645 0.90 MAPK1 (0.58) ALDH1A1F10PRSS1ITGB3ITGA2B
SCHEMBL14599582 0.88 MAPK1 (0.61) L3MBTL1NAAAALDH1A1F10PRSS1
SCHEMBL14599618 0.88 MAPK1 (0.61) L3MBTL1NAAAALDH1A1F10PRSS1
SCHEMBL14599581 0.88 MAPK1 (0.61) L3MBTL1NAAAALDH1A1F10PRSS1
SCHEMBL14599527 0.88 MAPK1 (0.61) L3MBTL1NAAAALDH1A1F10PRSS1
SCHEMBL28326194 0.88 L3MBTL1 (0.73) L3MBTL1SMN1; SMN2NAAACA2MLYCD
SCHEMBL2967223 0.86 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2NAAACA2MLYCD
SCHEMBL14519316 0.84 NPC1 (0.54) L3MBTL1NAAACA2MLYCDALDH1A1
SCHEMBL5940563 0.83 LMNA (0.64) L3MBTL1SMN1; SMN2NAAACA2MLYCD
SCHEMBL5072880 0.81 L3MBTL1 (0.71) L3MBTL1SMN1; SMN2NAAACA2MLYCD

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-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed