SCHEMBL6565322

SCHEMBL6565322

CC(C)(C)OC(=O)NC(=N)c1ccc(NCC#Cc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 4/20 0.44
KMT2A Q03164 2/20 0.44
NAMPT P43490 1/20 0.43
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
TSHR P16473 2/20 0.41
AVPR1A P37288 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL7676415 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL6563224 0.83 HPGD (0.59) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL6565384 0.83 GRM5 (0.46) NPC1HPGDKMT2ANAMPTMEN1
SCHEMBL7686729 0.82 PTPN11 (0.43) SMN1; SMN2HPGDKMT2ANAMPTALDH1A1
SCHEMBL7674981 0.82 ABL1 (0.43) RAB9ASMN1; SMN2HPGDKMT2ANAMPT
SCHEMBL6561858 0.79 GRM5 (0.47) SMN1; SMN2HPGDKMT2ANAMPTALDH1A1
SCHEMBL6563355 0.79 PTPN11 (0.47) CTSLCTSBCTSKLMNA
SCHEMBL6563002 0.78 HRH3 (0.42) NPC1HPGDNAMPTALDH1A1LMNA
SCHEMBL6563511 0.77 PTPN11 (0.40) NPC1POLB
SCHEMBL6563283 0.76 PTPN11 (0.46) SMN1; SMN2HPGDALDH1A1MAPT

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
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed