SCHEMBL7466457

SCHEMBL7466457

[C]1=CC=NN2Cc3ccccc3N=C12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
ACHE P22303 6/20 0.37
BCHE P06276 3/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSD P07339 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CCR3 P51677 5/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7751841 0.69 SIGMAR1 (0.39) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL10767417 0.58 HPGD (0.41) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL6801284 0.57 SIGMAR1 (0.44) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL7114310 0.57 SIGMAR1 (0.44) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL2359240 0.57 SIGMAR1 (0.62) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL6738853 0.57 NPC1 (0.40) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL13150862 0.57 SIGMAR1 (0.40) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL18895799 0.56 SIGMAR1 (0.61) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL14608794 0.56 SIGMAR1 (0.43) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL1754212 0.56 SIGMAR1 (0.50) SIGMAR1ACHEBCHEMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703221-B1 5 alpha-reductase Inhibitors LILLY CO ELI (US) 2002-03-27 EP disclosed
US-6150375-A INHIBITORS OF BOTH OF THE HUMAN 5AR ISOZYMES; BENIGN PROSTATE HYPERPLASIA, MALE PATTERN BALDNESS, ACNE VULGARIS, SEBORRHEA, ANDROGENIC ALOPECIA, HIRSUTISM AND PROSTATE CANCER; BLOCKS THE CONVERSION OF TESTOSTERONE TO 5-ALPHA-DIHYDROTESTOSTERONE ELI LILLY AND COMPANY (US) 2000-11-21 US disclosed
US-5670514-A BENZOQUINOLIN-3-ONE ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5635197-A BENZO(F)QUINOLIN-3-ONES; ANTICARCINOGENIC AGENTS; BONE DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
US-5629007-A USING BENZOQUINOLIN-3-ONE DERIVATIVES ELI LILLY AND COMPANY (US) 1997-05-13 US disclosed
US-5622961-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5622962-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
WO-1996009046-A1 5α-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
EP-0703221-A1 5 alpha-reductase Inhibitors ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed