SCHEMBL20373745

SCHEMBL20373745

COc1cc2c(cc1/C(C(C)=N)=C(\C)N)C=CC(O)N2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SPTLC2 O15270 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31

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
SCHEMBL20373746 0.63 AKR1C3 (0.43) MAPTMEN1KMT2APOLBLMNA
SCHEMBL24964824 0.61 LMNA (0.54) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL4418068 0.59 LMNA (0.48) SMN1; SMN2MEN1KMT2ANPC1LMNA
SCHEMBL4418070 0.58 LMNA (0.47) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL6425432 0.57 MEN1 (0.66) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL4429170 0.57 LMNA (0.67) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL4429146 0.56 LMNA (0.65) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL4422567 0.56 LMNA (0.79) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL8346666 0.56 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL21187484 0.55 JAK2 (0.42) MAPTPOLBNPC1KDM4EALDH1A1

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-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
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