SCHEMBL22797015

SCHEMBL22797015

CNc1cccc(C(=O)N(C)C)c1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
CXCR2 P25025 13/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCR6 P51684 1/20 0.42
KEAP1 Q14145 1/20 0.41
CXCR1 P25024 2/20 0.40
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL8343253 0.82 POLB (0.58) POLBKDM4EATMCXCR2MEN1
SCHEMBL1806342 0.82 KDM4E (0.48) POLBKDM4EATMMEN1KMT2A
SCHEMBL13970426 0.81 CXCR2 (0.57) CXCR2CCR6CXCR1
SCHEMBL8079343 0.79 POLB (0.43) POLBKDM4EATMCXCR2MEN1
SCHEMBL28282536 0.79 KDM4E (0.46) POLBKDM4EATMSMN1; SMN2
SCHEMBL5266668 0.78 CES2 (0.61) POLBMEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL1803598 0.77 KDM4E (0.68) POLBKDM4EATMKMT2ASMN1; SMN2
SCHEMBL17758445 0.77 KMT2A (0.46) KDM4EMEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL22152375 0.76 KDM4E (0.43) POLBKDM4EATMKMT2ASMN1; SMN2
SCHEMBL11246515 0.76 KMT2A (0.53) POLBKDM4EATMMEN1KMT2A

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
WO-2020252151-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2020-12-17 WO disclosed