SCHEMBL21439799

SCHEMBL21439799

O=c1[nH]ncn1N=Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.67
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 7/20 0.49
HPGD P15428 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 4/20 0.49
GFER P55789 2/20 0.49
APOBEC3G Q9HC16 3/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.44
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 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
SCHEMBL21439798 1.00 ALOX15 (0.67) ALOX15NPC1RAB9AALDH1A1HPGD
SCHEMBL8011202 0.83 SMN1; SMN2 (0.52) ALOX15NPC1RAB9AALDH1A1HPGD
SCHEMBL11268394 0.70 CRBN (0.47) ALOX15NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11268402 0.70 CRBN (0.47) ALOX15NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2494935 0.65 LMNA (0.79) NPC1RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL2494933 0.65 LMNA (0.79) NPC1RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL3518937 0.65 HTT (0.62) RAB9AALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL31499008 0.65 ALDH1A1 (0.73) ALOX15NPC1RAB9AALDH1A1HPGD
SCHEMBL28280836 0.64 MEN1 (0.59) ALOX15NPC1RAB9AALDH1A1HPGD
SCHEMBL10410969 0.63 ALOX15 (0.54) ALOX15NPC1RAB9AALDH1A1HPGD

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
WO-2021066149-A1 PHARMACEUTICAL COMPOSITION AND KIT CHARACTERIZED BY CONTAINING NOVEL PENAM DERIVATIVE OR SALT THEREOF AND ONE OR MORE COMPOUNDS SELECTED FROM Β-LACTAMASE INHIBITOR COMPOUND, ANTIBACTERIAL COMPOUND AND SALTS OF THESE 富士フイルム株式会社 2021-04-08 WO disclosed
WO-2019194306-A1 NOVEL PENAM DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF 富士フイルム株式会社 2019-10-10 WO disclosed