SCHEMBL9237156

SCHEMBL9237156

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 2/20 0.57
NR1H4 Q96RI1 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.47
THRB P10828 1/20 0.47
CCR5 P51681 4/20 0.46
EPHX2 P34913 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HDAC1 Q13547 1/20 0.45
POLB P06746 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 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
SCHEMBL9238331 0.87 MLYCD (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1NR1H4
SCHEMBL9236562 0.85 NR1H4 (0.65) KMT2ASMN1; SMN2MEN1ALDH1A1NR1H4
SCHEMBL9237286 0.83 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2MEN1ALDH1A1NR1H4
Hydrochloric Acid SCHEMBL9232743 0.82 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1NR1H4
SCHEMBL8185146 0.78 KMT2A (0.74) KMT2ASMN1; SMN2MEN1ALDH1A1NR1H4
SCHEMBL9238430 0.77 KMT2A (0.51) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL28399828 0.76 HDAC8 (0.56) KMT2AALDH1A1NPC1RAB9ATHRB
SCHEMBL6592666 0.76 KMT2A (0.58) KMT2ASMN1; SMN2MEN1ALDH1A1NR1H4
SCHEMBL9253364 0.75 CYP11B1 (0.52) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL393227 0.74 EPHX2 (0.56) KMT2ASMN1; SMN2MEN1ALDH1A1NR1H4

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