SCHEMBL7330944

SCHEMBL7330944

CCn1ncc2c(Cl)c3cc(S(=O)(=O)C(F)(F)F)ccc3nc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR3C1 P04150 6/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PGR P06401 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE5A O76074 1/20 0.34
ESPL1 Q14674 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RORC P51449 2/20 0.33

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
SCHEMBL7332950 0.86 ADORA2A (0.38) NR3C1PDE10AADORA3ADORA2AADORA1
SCHEMBL7328414 0.76 RXFP1 (0.50) LMNAHTTNR3C1PDE10AADORA3
SCHEMBL7330374 0.76 KMT2A (0.47) LMNAPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL7336182 0.75 PDE5A (0.65) LMNAHTTSMN1; SMN2HPGDPDE4B
SCHEMBL7337974 0.74 ADORA3 (0.36) NR3C1PDE10AADORA3ADORA2AADORA1
SCHEMBL7328438 0.74 PIM1 (0.43) NR3C1PDE10AADORA3ADORA2AADORA1
SCHEMBL7330632 0.74 PDE1A (0.44) SMN1; SMN2POLBHPGDPDE10AMEN1
SCHEMBL7332532 0.73 MAOA (0.50) SMN1; SMN2NR3C1HPGDPDE10AMEN1
SCHEMBL7332575 0.72 NPC1 (0.48) LMNASMN1; SMN2NR3C1MEN1KMT2A
SCHEMBL7338172 0.70 HCAR3 (0.46) HTTSMN1; SMN2NR3C1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942520-A Method for inhibiting neoplastic cells by exposure to substituted N-cycloalkylmethyl-1-H-pyrazolo (3,4-B) quinolone-4 amines CELL PATHWAYS, INC. (US) 1999-08-24 US disclosed
US-5488055-A ADMINISTERING GMP HOSPHODIESTERASE INHIBITORS FOR TREATMENT OF CONGESTIVE HEART FAILURE AND CARDIOVASCULAR DISORDERS SANOFI WINTHROP INC. (US) 1996-01-30 US disclosed