SCHEMBL7404281

SCHEMBL7404281

CCCOc1ccccc1-c1nc(O)cc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.43
GCGR P47871 1/20 0.43
MAPK14 Q16539 1/20 0.43
PTGER1 P34995 1/20 0.42
PDE5A O76074 9/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL7940518 0.90 PDE5A (0.46) MAPTALDH1A1LMNAHTTATM
SCHEMBL7939339 0.90 ALDH1A1 (0.51) MAPTALDH1A1LMNAHTTATM
SCHEMBL7377100 0.85 MAPT (0.60) MAPTALDH1A1LMNAHTTATM
SCHEMBL7931457 0.84 MAPT (0.46) MAPTALDH1A1LMNAHTTATM
SCHEMBL7939347 0.83 ALDH1A1 (0.45) MAPTALDH1A1LMNAHTTATM
SCHEMBL28131881 0.81 PDE5A (0.52) MAPTALDH1A1LMNAHTTATM
SCHEMBL7937949 0.81 MAPT (0.45) MAPTALDH1A1LMNAHTTATM
SCHEMBL7937934 0.81 ALDH1A1 (0.43) MAPTALDH1A1LMNAHTTATM
SCHEMBL147717 0.80 MAPT (0.43) MAPTALDH1A1LMNAHTTATM
SCHEMBL7937929 0.78 MAPT (0.44) MAPTALDH1A1LMNAHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118686-A Administering bronchodilator agents for respiratory disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-06-02 US claimed
EP-0395328-A2 Penylpyrimidone derivates and their use as therapeutic agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-10-31 EP claimed
US-6239136-B1 REGULATING APOPTOSIS IN HUMAN CELLS HAVING AUTOIMMUNE DISEASE CELL PATHWAYS, INC. 2001-05-29 US disclosed
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 WO disclosed
US-5874440-A ADMINISTERING TO THE PATIENT HAVING PRECANCEROUS LESIONS TO INHIBIT GROWTH OF NEOPLASTIC CELLS CELL PATHWAYS, INC. (US) 1999-02-23 US disclosed
US-5118686-A Administering bronchodilator agents for respiratory disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-06-02 US disclosed
EP-0395328-A2 Penylpyrimidone derivates and their use as therapeutic agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-10-31 EP disclosed