SCHEMBL15554157

SCHEMBL15554157

N=C(N)NC(=O)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.63
▸ BACE1 P56817 1/20 0.48
▸ BACE2 Q9Y5Z0 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ HDAC3 O15379 3/20 0.45
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ CHRM1 P11229 5/20 0.44
▸ UBE2N P61088 1/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ KDM4A O75164 1/20 0.43
▸ ALPI P09923 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ SLC7A5 Q01650 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
SCHEMBL15555286 1.00 EPHX1 (0.63) EPHX1BACE1BACE2POLBHDAC3
SCHEMBL15553655 1.00 EPHX1 (0.63) EPHX1BACE1BACE2POLBHDAC3
Hydrochloric Acid SCHEMBL15553133 0.98 EPHX1 (0.61) EPHX1BACE1BACE2POLBHDAC3
Hydrochloric Acid SCHEMBL15553761 0.98 EPHX1 (0.61) EPHX1BACE1BACE2POLBHDAC3
Hydrochloric Acid SCHEMBL15554159 0.98 EPHX1 (0.61) EPHX1BACE1BACE2POLBHDAC3
SCHEMBL15553838 0.90 EPHX1 (0.51) EPHX1BACE1BACE2POLBHDAC3
SCHEMBL15554428 0.90 EPHX1 (0.51) EPHX1BACE1BACE2POLBHDAC3
SCHEMBL15553478 0.90 EPHX1 (0.51) EPHX1BACE1BACE2POLBALDH1A1
SCHEMBL15553362 0.90 EPHX1 (0.51) EPHX1BACE1BACE2HDAC3HDAC1
SCHEMBL15553274 0.90 EPHX1 (0.51) EPHX1BACE1BACE2POLBPKM

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-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 — — WO claimed
WO-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 — — WO disclosed
Send feedback