SCHEMBL7186213

SCHEMBL7186213

O=C=C1C=CC=C(NC(=O)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL10218967 0.72 KMT2A (0.47) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL18250665 0.70 PTPN1 (0.43) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL7186204 0.69 PTPN1 (0.39) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL6174798 0.66 KMT2A (0.41) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL21132816 0.64 LMNA (0.42) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL10427470 0.62 NPC1 (0.47) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL24202631 0.62 SIRT1 (0.83) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL126415 0.62 PTPN1 (0.87) PTPN1KCNK3KCNK9NPC1RAB9A
N-Phenylbenzamide SCHEMBL31966 0.62 SIRT1 (0.83) PTPN1KCNK3KCNK9NPC1RAB9A
N-Phenylbenzamide SCHEMBL5402750 0.62 SIRT1 (0.83) PTPN1KCNK3KCNK9NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165494-B1 HSV PRIMASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2003-11-05 EP disclosed
EP-1165494-A2 HSV PRIMASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-02 EP disclosed
US-6323202-B1 BENZAMIDE SUBSTITUTES WITH KETONE COMPOUNDS AS ENZYME INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-11-27 US disclosed
WO-2000058270-A2 HSV PRIMASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-10-05 WO disclosed