SCHEMBL28247183

SCHEMBL28247183

Cc1ccnc(C(=O)OCl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.42
▸ CCR1 P32246 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ CCR8 P51685 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ PTGS1 P23219 5/20 0.40
▸ PTGS2 P35354 5/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSA P10619 2/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ PYGL P06737 1/20 0.38
▸ PYGM P11217 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 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
SCHEMBL131790 0.83 ALDH1A1 (0.51) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL16938788 0.81 KDM4E (0.44) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL127699 0.80 CYP1A2 (0.53) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL1682028 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APYGLPYGM
SCHEMBL27656693 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL30440953 0.79 CYP1A2 (0.51) ALDH1A1KDM4EMEN1NOS3NOS1
SCHEMBL13105640 0.79 GABRG2 (0.46) UHRF1CCR1CCR5CCR8PTGS1
SCHEMBL14037108 0.79 UHRF1 (0.46) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL11679598 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL13545919 0.77 POLB (0.40) UHRF1CCR1CCR5CCR8ALDH1A1

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-108699077-A Heterocyclic compound as RSV inhibitor 英安塔制药有限公司 2018-10-23 — — CN disclosed
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