SCHEMBL27684530

SCHEMBL27684530

CC(C)CC(C(=O)NCCc1ccccc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.74
KDM4A O75164 1/20 0.62
ANPEP P15144 1/20 0.58
CTSS P25774 2/20 0.56
CTSK P43235 2/20 0.56
MMP8 P22894 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CNR1 P21554 1/20 0.52
CTSL P07711 1/20 0.52
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
THRB P10828 1/20 0.51
EPHX1 P07099 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
SCHEMBL27658527 0.92 POLB (0.63) POLBKDM4AANPEPCTSSCTSK
SCHEMBL27658471 0.83 KDM4A (0.60) POLBKDM4ACTSSCTSKMMP8
SCHEMBL12381969 0.82 CTSK (0.56) POLBKDM4ACTSSCTSKMMP8
SCHEMBL13182988 0.81 POLB (0.68) POLBKDM4AKMT2ACYP2D6CYP2C9
SCHEMBL13073874 0.81 ANPEP (0.63) POLBANPEPMMP8KMT2ACYP2D6
SCHEMBL8613610 0.81 ANPEP (0.63) POLBANPEPMMP8KMT2ACYP2D6
Hydrochloric Acid SCHEMBL8617103 0.79 ANPEP (0.61) POLBANPEPMMP8KMT2ACYP2D6
SCHEMBL4138386 0.79 MMP8 (0.65) POLBANPEPMMP8KMT2ACYP2D6
SCHEMBL7866857 0.79 KMT2A (0.81) POLBANPEPKMT2ACYP2D6CYP2C9
SCHEMBL13569363 0.78 CNR1 (0.81) POLBCNR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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