SCHEMBL27684529

SCHEMBL27684529

CC(C)CC(C(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 4/20 0.56
▸ TACR1 P25103 2/20 0.56
▸ BCHE P06276 3/20 0.54
▸ NR3C2 P08235 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MAPK14 Q16539 1/20 0.50
▸ CTSL P07711 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MLYCD O95822 1/20 0.49
▸ CTSD P07339 1/20 0.49
▸ BACE1 P56817 1/20 0.48

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
SCHEMBL3369040 0.86 TACR1 (0.58) CCR2TACR1BCHEKMT2AMEN1
SCHEMBL3367011 0.84 BCHE (0.57) CCR2TACR1BCHEKMT2AMEN1
SCHEMBL27665008 0.83 MEN1 (0.55) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL13103578 0.81 MLYCD (0.59) TACR1BCHEKMT2AMEN1CYP1A2
SCHEMBL17330317 0.81 CACNA1B (0.55) KMT2AMEN1CYP1A2CYP3A4CTSL
SCHEMBL3367008 0.81 TACR1 (0.58) CCR2TACR1BCHENR3C2KMT2A
SCHEMBL5016361 0.80 MLYCD (0.55) TACR1BCHEKMT2AMEN1CYP1A2
SCHEMBL27684802 0.80 ANPEP (0.60) BCHENR3C2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3364258 0.79 L3MBTL1 (0.57) TACR1BCHEKMT2AMEN1CYP1A2
SCHEMBL3364252 0.79 L3MBTL1 (0.57) TACR1BCHEKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1910144-B Sulfonamide derivatives for the treatment of diseases PFIZER LTD 2010-06-09 — — CN claimed
CN-1910144-A Sulfonamide derivatives for the treatment of diseases PFIZER LTD (US) 2007-02-07 — — CN claimed
CN-1910144-B Sulfonamide derivatives for the treatment of diseases PFIZER LTD 2010-06-09 — — CN disclosed
CN-1910144-A Sulfonamide derivatives for the treatment of diseases PFIZER LTD (US) 2007-02-07 — — CN disclosed
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