SCHEMBL7186204

SCHEMBL7186204

O=C=C1C=C(NC(=O)c2ccccc2)C=CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
PRMT1 Q99873 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
SIRT1 Q96EB6 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL20082202 0.70 PTPN1 (0.44) PTPN1KCNK3KCNK9PRMT1NPC1
SCHEMBL7186213 0.69 PTPN1 (0.40) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL777642 0.67 PTPN1 (0.44) PTPN1KCNK3KCNK9LMNANPC1
SCHEMBL16502305 0.66 NPC1 (0.42) PTPN1KCNK3KCNK9PRMT1LMNA
SCHEMBL6154308 0.65
SCHEMBL6174798 0.65 KMT2A (0.41) PTPN1KCNK3KCNK9LMNAHTT
SCHEMBL22305399 0.64 KCNK3 (0.83) PTPN1KCNK3KCNK9HTTNPC1
SCHEMBL11831465 0.62 MEN1 (0.64) PTPN1KCNK3KCNK9HTTNPC1
SCHEMBL370375 0.62 PTPN1 (0.42) PTPN1KCNK3KCNK9PRMT1NPC1
SCHEMBL10218967 0.62 KMT2A (0.47) PTPN1KCNK3KCNK9LMNAHTT

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