SCHEMBL7388778

SCHEMBL7388778

CCOCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1Br.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.50
CYP2D6 P10635 1/20 0.47
LMNA P02545 1/20 0.45
PDE5A O76074 13/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7388781 0.99 ALDH1A1 (0.63) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL6446698 0.99 ALDH1A1 (0.63) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL6447545 0.89 ALDH1A1 (0.64) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL2402633 0.89 ALDH1A1 (0.70) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL6446295 0.86 ALDH1A1 (0.55) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL6443522 0.86 ALDH1A1 (0.63) ALDH1A1KMT2ATSHRCYP2D6LMNA
Hydrochloric Acid SCHEMBL6446632 0.82 KMT2A (0.80) ALDH1A1KMT2ACYP2D6PDE5AKDM4E
SCHEMBL6442764 0.81 KMT2A (0.66) ALDH1A1KMT2ACYP2D6PDE5AGAA
Hydrochloric Acid SCHEMBL6443518 0.81 KMT2A (0.59) ALDH1A1KMT2ATSHRCYP2D6PDE5A
SCHEMBL6446145 0.80 ALDH1A1 (0.60) ALDH1A1KMT2ATSHRCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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