SCHEMBL9702763

SCHEMBL9702763

Oc1ccc(Nc2ccc3ncccc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
POLB P06746 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 4/20 0.59
PABPC1 P11940 1/20 0.52
GRM4 Q14833 1/20 0.52
ALDH1A1 P00352 6/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 1/20 0.51
EGFR P00533 1/20 0.51
RAB9A P51151 5/20 0.50
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 3/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL1011248 0.86 PABPC1 (0.59) NPC1POLBMEN1KMT2AMAPT
SCHEMBL6748149 0.86 NPC1 (0.63) NPC1POLBMEN1KMT2AMAPT
SCHEMBL25389520 0.83 ALDH1A1 (0.66) NPC1POLBMEN1KMT2AMAPT
SCHEMBL28242830 0.83 NPC1 (0.67) NPC1POLBMEN1KMT2AMAPT
SCHEMBL1008997 0.83 NPC1 (0.58) NPC1POLBMEN1KMT2AMAPT
SCHEMBL2791886 0.82 ABCB1 (0.61) NPC1POLBMEN1KMT2AMAPT
SCHEMBL5758552 0.81 NPC1 (0.60) NPC1POLBMEN1KMT2AMAPT
SCHEMBL21203668 0.81 GRM4 (0.57) NPC1POLBMEN1KMT2AMAPT
SCHEMBL112289 0.80 ALDH1A1 (0.70) NPC1POLBMEN1KMT2AMAPT
SCHEMBL14582251 0.80 PABPC1 (0.52) NPC1POLBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP claimed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US claimed
US-4814454-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1989-03-21 US claimed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP claimed
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US disclosed
US-4814454-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1989-03-21 US disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed