SCHEMBL2822427

SCHEMBL2822427

O=C(Cc1ccc(Br)cc1)NCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 1.00
▸ POLB P06746 1/20 0.76
▸ TSHR P16473 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPK1 P28482 2/20 0.55
▸ CYP2D6 P10635 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ LMNA P02545 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MPI P34949 1/20 0.52

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
SCHEMBL2822477 0.86 KMT2A (0.76) KMT2APOLBTSHRSMN1; SMN2GAA
SCHEMBL6034019 0.81 TSHR (0.85) KMT2APOLBTSHRCYP2D6HPGD
SCHEMBL23973874 0.80 POLB (0.66) KMT2APOLBTSHRTP53HSD17B10
SCHEMBL16511117 0.79 GAA (0.83) KMT2APOLBTSHRSMN1; SMN2GAA
SCHEMBL14817986 0.79 POLB (0.85) KMT2APOLBTSHRSMN1; SMN2MAPK1
SCHEMBL12460078 0.79 POLB (0.65) KMT2APOLBTSHRGAAMAPK1
SCHEMBL13096431 0.78 POLB (0.64) KMT2APOLBSMN1; SMN2GAAMAPK1
SCHEMBL2822368 0.78 POLB (0.67) KMT2APOLBTSHRSMN1; SMN2GAA
SCHEMBL30673257 0.78 ALDH1A1 (0.82) KMT2APOLBSMN1; SMN2MAPK1LMNA
SCHEMBL14430765 0.78 KMT2A (0.64) KMT2ATSHRSMN1; SMN2GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 — — WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 — — EP disclosed
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