SCHEMBL1497210

SCHEMBL1497210

O=C(O)N1CCc2nnc(Br)n2CC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.46
TACR3 P29371 1/20 0.30

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
SCHEMBL107990 0.84 P2RX7 (0.57) P2RX7TACR3
SCHEMBL22683927 0.72 P2RX7 (0.56) P2RX7TACR3
SCHEMBL31447391 0.69 P2RX7 (0.52) P2RX7TACR3
SCHEMBL1497560 0.66 PDPK1 (0.50)
SCHEMBL13209040 0.66 POLB (0.49) P2RX7
SCHEMBL1017946 0.64 P2RX7 (0.54) P2RX7TACR3
SCHEMBL16904 0.64 ALDH1A1 (0.42)
SCHEMBL28468317 0.64 ALDH1A1 (0.42)
SCHEMBL145307 0.64
SCHEMBL9079929 0.64 ALDH1A1 (0.42)

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
EP-2475661-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER Novartis AG (CH) 2012-07-18 EP disclosed
WO-2011029842-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-03-17 WO disclosed
WO-2011029842-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-03-17 WO disclosed