SCHEMBL7939347

SCHEMBL7939347

CCCOc1ccccc1-c1nc(O)cc(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE5A O76074 2/20 0.43
ADRB2 P07550 1/20 0.42
THRB P10828 1/20 0.42
MAOB P27338 3/20 0.41
PDE10A Q9Y233 1/20 0.41
MAOA P21397 1/20 0.41
TLR8 Q9NR97 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HTR7 P34969 1/20 0.40
USP2 O75604 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
SCHEMBL7939339 0.89 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHTTATM
SCHEMBL7377100 0.84 MAPT (0.60) ALDH1A1MAPTLMNAHTTATM
SCHEMBL7931457 0.83 MAPT (0.46) ALDH1A1MAPTLMNAHTTATM
SCHEMBL7404281 0.83 MAPT (0.46) ALDH1A1MAPTLMNAHTTATM
SCHEMBL7937949 0.82 MAPT (0.45) ALDH1A1MAPTLMNAHTTATM
SCHEMBL28131881 0.80 PDE5A (0.52) ALDH1A1MAPTLMNAHTTATM
SCHEMBL7937934 0.80 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHTTATM
SCHEMBL147717 0.79 MAPT (0.43) ALDH1A1MAPTLMNAHTTATM
SCHEMBL7937929 0.77 MAPT (0.44) ALDH1A1MAPTLMNAHTTATM
SCHEMBL7937938 0.75 KMT2A (0.43) ALDH1A1MAPTLMNAHTTATM

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
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
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