SCHEMBL7418508

SCHEMBL7418508

COC(=O)c1ccc(C#CCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAB9A P51151 2/20 0.48
CYP3A4 P08684 4/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPN11 Q06124 1/20 0.47
LMNA P02545 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MGLL Q99685 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL18822177 0.82 MAPT (0.47) MAPTRAB9ACYP3A4TSHRSMN1; SMN2
SCHEMBL19125730 0.81 MAPT (0.45) MAPTRAB9ACYP3A4TSHRSMN1; SMN2
SCHEMBL4766309 0.80 SMN1; SMN2 (0.62) MAPTRAB9ACYP3A4TSHRSMN1; SMN2
SCHEMBL19111159 0.80 MAPT (0.44) MAPTRAB9ACYP3A4TSHRLMNA
SCHEMBL6790694 0.78 L3MBTL1 (0.46) MAPTRAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL19578990 0.78 KMT2A (0.58) MAPTRAB9ATSHRSMN1; SMN2KMT2A
SCHEMBL205765 0.78 MGLL (0.65) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL22388846 0.78 KMT2A (0.76) MAPTRAB9ATSHRSMN1; SMN2KMT2A
SCHEMBL4816347 0.76 PTPN11 (0.64) MAPTRAB9AKMT2AMEN1PTPN11
SCHEMBL8456195 0.76 SMN1; SMN2 (0.70) MAPTRAB9ACYP3A4TSHRSMN1; 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
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed