SCHEMBL6441804

SCHEMBL6441804

CCN1CCN(S(=O)(=O)c2cnc(O[C@H]3CCOC3)c(Br)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.46
CYP2D6 P10635 1/20 0.43
PDE5A O76074 6/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.41
BRD4 O60885 3/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 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
SCHEMBL6444685 1.00 ALDH1A1 (0.56) ALDH1A1KMT2ATSHRCYP2D6PDE5A
SCHEMBL6446091 0.94 ALDH1A1 (0.58) ALDH1A1KMT2ATSHRCYP2D6PDE5A
SCHEMBL6446723 0.85 ALDH1A1 (0.59) ALDH1A1KMT2ATSHRCYP2D6PDE5A
SCHEMBL6447283 0.83 KMT2A (0.56) ALDH1A1KMT2ATSHRCYP2D6PDE5A
SCHEMBL6443408 0.83 KMT2A (0.56) ALDH1A1KMT2ATSHRCYP2D6PDE5A
SCHEMBL2402633 0.80 ALDH1A1 (0.70) ALDH1A1KMT2ATSHRCYP2D6PDE5A
SCHEMBL6444485 0.79 KMT2A (0.68) ALDH1A1KMT2ACYP2D6PDE5AHTT
SCHEMBL15067526 0.79 BRD4 (0.52) BRD4
SCHEMBL6444483 0.78 KMT2A (0.56) ALDH1A1KMT2ACYP2D6PDE5AHTT
SCHEMBL6442109 0.77 KMT2A (0.58) ALDH1A1KMT2ATSHRCYP2D6PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 WO disclosed