SCHEMBL28199249

SCHEMBL28199249

COC(=O)c1ccnn1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.55
▸ PLAU P00749 1/20 0.55
▸ KLKB1 P03952 1/20 0.55
▸ ELANE P08246 1/20 0.55
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ TSHR P16473 2/20 0.38

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
SCHEMBL28113504 0.82 F2 (0.40) F2PLAUKLKB1ELANEKMT2A
SCHEMBL5531898 0.80 SMN1; SMN2 (0.58) F2PLAUKLKB1ELANEKMT2A
SCHEMBL24937400 0.79 L3MBTL1 (0.56) F2PLAUKLKB1ELANEKMT2A
SCHEMBL18704008 0.78 F2 (0.50) F2PLAUKLKB1ELANEKMT2A
SCHEMBL883182 0.78 F2 (0.50) F2PLAUKLKB1ELANEKMT2A
SCHEMBL14699330 0.77 — —
SCHEMBL28308404 0.77 — —
SCHEMBL27988980 0.77 — —
SCHEMBL17437902 0.77 F2 (0.46) F2PLAUKLKB1ELANEKMT2A
SCHEMBL7056151 0.76 F2 (0.48) F2PLAUKLKB1ELANEKMT2A

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
CN-105555780-B SYK inhibitors 吉利德科学公司 2018-01-23 — — CN disclosed
Send feedback