SCHEMBL8204744

SCHEMBL8204744

O=C(O)c1ccc(NC(=O)c2c(O)cccc2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
FFAR1 O14842 1/20 0.57
MITF O75030 1/20 0.54
ALDH1A1 P00352 1/20 0.51
P2RX1 P51575 1/20 0.51
HPSE Q9Y251 1/20 0.51
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
TP53 P04637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL9806566 0.85 MEN1 (0.66) MEN1KMT2AALDH1A1P2RX1CA12
SCHEMBL9806572 0.83 LMNA (0.65) MEN1KMT2AALDH1A1P2RX1CA12
SCHEMBL11166594 0.81 TERT (0.66) MEN1KMT2AFFAR1MITFALDH1A1
SCHEMBL8194070 0.81 MEN1 (0.77) MEN1KMT2AFFAR1ALDH1A1KDM4E
SCHEMBL10428048 0.80 P2RX1 (0.57) MEN1KMT2AP2RX1NPC1RAB9A
Resorantel SCHEMBL1027956 0.80 TP53 (0.61) MEN1KMT2AALDH1A1P2RX1KDM4E
SCHEMBL20413311 0.80 NPC1 (0.67) MEN1KMT2AP2RX1CA9CA1
Resorantel SCHEMBL11209389 0.79 TP53 (0.59) MEN1KMT2AALDH1A1P2RX1KDM4E
SCHEMBL28419632 0.78 MITF (0.81) MEN1KMT2AFFAR1MITFHPSE
SCHEMBL900903 0.78 MITF (0.81) MEN1KMT2AFFAR1MITFHPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5907038-A PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1999-05-25 US claimed
CN-1199396-A Novel azepanes and their ring homologues for therapy and prophylaxis of protein kinase mediated diseases HOFFMANN LA ROCHE (CH) 1998-11-18 CN claimed
EP-0836592-A1 AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1998-04-22 EP claimed
WO-1997002249-A1 NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-23 WO claimed
US-6136969-A PROTEIN KINASE INHIBITORS; 4-HYDROXYBENZOIC ACID 3-(4-(4-FLUOROBENZOYLOXY)-BENZOYLAMINO)-AZEPAN-4-YL ESTER HOFFMANN-LA ROCHE INC. (US) 2000-10-24 US disclosed
US-5907038-A PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1999-05-25 US disclosed
EP-0836592-A1 AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1998-04-22 EP disclosed
WO-1997002249-A1 NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-23 WO disclosed
US-4409240-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS, BRONCHODILATOR, AND ANTIARTHRITIC AGENTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-10-11 US disclosed
EP-0059108-A1 Derivatives of dihydroxybenzoic acid KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-09-01 EP disclosed