SCHEMBL1531645

SCHEMBL1531645

O=C(CNc1ccccc1)NCC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.57
EPHX2 P34913 3/20 0.55
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL5867880 0.85 EPHX1 (0.48) EPHX1SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL5868447 0.80 ALDH1A1 (0.50) EPHX1ALDH1A1KDM4E
SCHEMBL23845320 0.78 EPHX1 (0.57) EPHX1SMN1; SMN2EPHX2ALDH1A1KMT2A
SCHEMBL901540 0.78 EPHX1 (0.57) EPHX1SMN1; SMN2EPHX2ALDH1A1KMT2A
SCHEMBL22393075 0.78 EPHX1 (0.57) EPHX1SMN1; SMN2EPHX2ALDH1A1KMT2A
SCHEMBL901572 0.78 EPHX1 (0.57) EPHX1SMN1; SMN2EPHX2ALDH1A1KMT2A
SCHEMBL8393668 0.78 NPC1 (0.73) EPHX1SMN1; SMN2EPHX2ALDH1A1KMT2A
SCHEMBL8395990 0.78 NPC1 (0.73) EPHX1SMN1; SMN2EPHX2ALDH1A1KMT2A
SCHEMBL23431981 0.78 EPHX1 (1.00) EPHX1SMN1; SMN2EPHX2ALDH1A1KMT2A
SCHEMBL23432014 0.78 EPHX1 (1.00) EPHX1SMN1; SMN2EPHX2ALDH1A1KMT2A

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
EP-2485589-A1 HETEROARYL BTK INHIBITORS Biogen Idec MA Inc. (US) 2012-08-15 EP disclosed
WO-2011029043-A1 HETEROARYL BTK INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed