SCHEMBL7670097

SCHEMBL7670097

N=C(N)c1ccc(NCC#Cc2ccc(C(=O)c3cccs3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 2/20 0.45
HPGDS O60760 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.38
PRSS1 P07477 4/20 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
SCHEMBL6565403 0.87 HPGDS (0.54) HPGDNPC1RAB9ATSHRHTT
SCHEMBL6561875 0.86 HPGD (0.47) HPGDNPC1RAB9ATSHRHTT
SCHEMBL6563625 0.83 PRSS1 (0.43) HPGDRAB9AALDH1A1LMNAPRSS1
SCHEMBL7677130 0.81 PRSS1 (0.41) MEN1KMT2APRSS1F2PRSS2
SCHEMBL7670899 0.81 PRSS1 (0.43) ALDH1A1LMNAPRSS1F2PRSS2
SCHEMBL7674188 0.80 EGLN1 (0.44) LMNAPRSS1F2PRSS2PRSS3
SCHEMBL7675063 0.79 F2 (0.48) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL6565256 0.79 AKR1C3 (0.44) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL7677481 0.78 F2 (0.47) KMT2AALDH1A1POLBPRSS1F2
SCHEMBL6563946 0.77 KLK1 (0.42) HPGDNPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed