Sugi Predict

Sugi Predict / Compounds / SCHEMBL7377100

SCHEMBL7377100

SCHEMBL7377100

CCCOc1ccccc1-c1nc(C)cc(O)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.60
▸ LMNA P02545 5/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ ATM Q13315 2/20 0.60
▸ KDM4E B2RXH2 4/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE5A O76074 7/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE4B Q07343 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HPGD P15428 2/20 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
SCHEMBL7939339 0.91 ALDH1A1 (0.51) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL7404281 0.85 MAPT (0.46) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL7931457 0.85 MAPT (0.46) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL7939347 0.84 ALDH1A1 (0.45) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL6593582 0.82 BRD4 (0.56) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL28131881 0.82 PDE5A (0.52) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL7937949 0.82 MAPT (0.45) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL7937934 0.82 ALDH1A1 (0.43) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL7937929 0.81 MAPT (0.44) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL147717 0.81 MAPT (0.43) MAPTLMNAALDH1A1TDP1HTT

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-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