SCHEMBL7476041

SCHEMBL7476041

Nc1ccc2c(c1)CCN2Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
EPHX2 P34913 2/20 0.48
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CDK4 P11802 1/20 0.42
ALOX15 P16050 1/20 0.42
CCND1 P24385 1/20 0.42
GRM5 P41594 1/20 0.42
ACHE P22303 3/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
GRIN2B Q13224 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
SCHEMBL8118083 0.91 ADRB3 (0.50) ALDH1A1KMT2AMEN1ACHEADRB2
SCHEMBL2001003 0.88 ACHE (0.48) DDB1CRBNALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL28914132 0.86 ACHE (0.47) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL31577322 0.85 ALOX5 (0.55) ALOX5EPHX2ALDH1A1POLB
SCHEMBL5780419 0.85 ALOX5 (0.55) ALOX5EPHX2ALDH1A1POLB
SCHEMBL15524922 0.81 LMNA (0.41) ALOX5EPHX2KDM4EPOLBLMNA
SCHEMBL15524906 0.81 KDM4E (0.43) ALOX5EPHX2ALDH1A1KDM4EMAPT
SCHEMBL16494456 0.81 ALOX5 (0.51) ALOX5EPHX2ALDH1A1KMT2AMEN1
SCHEMBL14149903 0.81 ALOX5 (0.48) ALOX5EPHX2ALDH1A1KMT2AMEN1
SCHEMBL7338251 0.81 HDAC1 (0.54) ALOX5EPHX2DDB1CRBNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064273-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2001-01-03 EP claimed
WO-1999047507-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1999-09-23 WO claimed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
CN-1335850-A Quinoline derivatives SMITHKLINE BEECHMA PLC (GB) 2002-02-13 CN disclosed
EP-1140946-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-10 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed
EP-1047691-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
WO-2000035919-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-06-22 WO disclosed
WO-1999031086-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 WO disclosed
EP-0843671-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1998-05-27 EP disclosed
WO-1997003069-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1997-01-30 WO disclosed