SCHEMBL6160463

SCHEMBL6160463

Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C(Cc2ccc(OCc4ccccc4)cc2)NC(=O)C(C)(C)N)CC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 3/20 0.52
KCNAB1 Q14722 3/20 0.52
AR P10275 1/20 0.49
P2RX7 Q99572 8/20 0.46
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HCRTR2 O43614 2/20 0.43
KMT2A Q03164 1/20 0.42
BCL2 P10415 1/20 0.42
MCL1 Q07820 2/20 0.41

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
SCHEMBL6160450 1.00 KCNA1 (0.52) KCNA1KCNAB1ARP2RX7POLB
Hydrochloric Acid SCHEMBL6161323 0.99 KCNA1 (0.51) KCNA1KCNAB1ARP2RX7POLB
Hydrochloric Acid SCHEMBL6161668 0.99 KCNA1 (0.51) KCNA1KCNAB1ARP2RX7POLB
SCHEMBL6164155 0.90 P2RX7 (0.49) KCNA1KCNAB1ARP2RX7HCRTR2
SCHEMBL6160934 0.88 KCNA1 (0.55) KCNA1KCNAB1KMT2A
SCHEMBL6160943 0.88 KCNA1 (0.55) KCNA1KCNAB1KMT2A
Hydrochloric Acid SCHEMBL6160591 0.87 KCNA1 (0.55) KCNA1KCNAB1KMT2A
Hydrochloric Acid SCHEMBL6160605 0.87 KCNA1 (0.55) KCNA1KCNAB1KMT2A
SCHEMBL6161161 0.80 KCNA1 (0.51) KCNA1KCNAB1
SCHEMBL6161170 0.80 KCNA1 (0.51) KCNA1KCNAB1

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP claimed