SCHEMBL27874520

SCHEMBL27874520

CN(C)c1ccc(NC(=O)N(N)C2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.58
▸ ATM Q13315 1/20 0.54
▸ RAB9A P51151 5/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ SHMT2 P34897 1/20 0.47
▸ RAD52 P43351 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NOX1 Q9Y5S8 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ NR4A1 P22736 1/20 0.42

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
SCHEMBL28798411 0.82 ATM (0.68) EPHX1ATMRAB9AKMT2AMAPT
SCHEMBL8605647 0.80 EPHX1 (0.52) EPHX1ATMRAB9AKMT2ASHMT2
SCHEMBL8636134 0.80 EPHX1 (0.52) EPHX1ATMRAB9AKMT2ASHMT2
SCHEMBL8603355 0.80 EPHX1 (0.52) EPHX1ATMRAB9AKMT2ASHMT2
SCHEMBL8601811 0.80 EPHX1 (0.52) EPHX1ATMRAB9AKMT2ASHMT2
SCHEMBL7765488 0.80 EPHX1 (0.54) EPHX1ATMRAB9AKMT2ASHMT2
SCHEMBL7767326 0.80 EPHX1 (0.54) EPHX1ATMRAB9AKMT2ASHMT2
SCHEMBL7765484 0.80 EPHX1 (0.54) EPHX1ATMRAB9AKMT2ASHMT2
SCHEMBL7767336 0.80 EPHX1 (0.54) EPHX1ATMRAB9AKMT2ASHMT2
SCHEMBL7767340 0.80 EPHX1 (0.54) EPHX1ATMRAB9AKMT2ASHMT2

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
CN-102471339-A Pyrrolopyridine inhibitors of kinases ABBOTT LAB 2012-05-23 — — CN claimed
CN-102471339-A Pyrrolopyridine inhibitors of kinases ABBOTT LAB 2012-05-23 — — CN disclosed
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