SCHEMBL9238331

SCHEMBL9238331

COC(=O)CCc1ccc(NC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NR1H4 Q96RI1 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
NAMPT P43490 2/20 0.51
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CCR5 P51681 1/20 0.46

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
SCHEMBL9253364 0.88 CYP11B1 (0.52) MAPTCYP11B1CYP11B2RAB9APOLB
SCHEMBL9237156 0.87 KMT2A (0.57) SMN1; SMN2NR1H4MAPTLMNANPC1
SCHEMBL1338556 0.86 CYP11B1 (0.60) SMN1; SMN2MAPTCYP11B1CYP11B2NPC1
SCHEMBL8988613 0.85 RORC (0.55) SMN1; SMN2MAPTLMNACYP11B1CYP11B2
SCHEMBL9267010 0.85 RAB9A (0.62) SMN1; SMN2MAPTCYP11B1CYP11B2NPC1
SCHEMBL9237286 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NR1H4MAPTLMNANPC1
SCHEMBL8519675 0.83 RAB9A (0.52) NR1H4CYP11B1CYP11B2NPC1RAB9A
SCHEMBL9264988 0.82 EPHX2 (0.49) MAPTCYP11B1CYP11B2RAB9APOLB
SCHEMBL8868369 0.82 MLYCD (0.59) MLYCDMAPTNAMPTCYP11B1CYP11B2
SCHEMBL8868375 0.82 MLYCD (0.59) MLYCDMAPTNAMPTCYP11B1CYP11B2

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
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP disclosed