SCHEMBL3714852

SCHEMBL3714852

O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
MEN1 O00255 3/20 1.00
EPHX2 P34913 1/20 0.79
RORC P51449 1/20 0.68
WNT3A P56704 1/20 0.63
SLC6A2 P23975 1/20 0.62
SLC6A3 Q01959 1/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HTT P42858 2/20 0.61
NPC1 O15118 2/20 0.61
MITF O75030 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
RET P07949 1/20 0.60
ABCC4 O15439 1/20 0.60
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.60
PTGS1 P23219 1/20 0.60
PKM P14618 1/20 0.59

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
SCHEMBL10054999 0.92 EPHX2 (0.92) KMT2AMEN1EPHX2ALDH1A1NPC1
SCHEMBL1948079 0.91 KMT2A (0.83) KMT2AMEN1EPHX2RORCWNT3A
SCHEMBL29079378 0.90 MEN1 (0.81) KMT2AMEN1EPHX2RORCWNT3A
SCHEMBL8331684 0.89 MEN1 (0.79) KMT2AMEN1EPHX2RORCWNT3A
SCHEMBL1283623 0.89 KMT2A (0.79) KMT2AMEN1EPHX2RORCWNT3A
SCHEMBL27875615 0.89 MEN1 (0.79) KMT2AMEN1EPHX2RORCWNT3A
SCHEMBL1516167 0.88 EPHX2 (1.00) KMT2AMEN1EPHX2ALDH1A1HTT
Hydrochloric Acid SCHEMBL27735879 0.86 EPHX2 (0.96) KMT2AMEN1EPHX2ALDH1A1HTT
SCHEMBL4420808 0.85 EPHX2 (0.79) KMT2AMEN1EPHX2ALDH1A1NPC1
SCHEMBL19827071 0.85 MEN1 (0.73) KMT2AMEN1EPHX2RORCWNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US claimed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP claimed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO claimed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO disclosed
EP-0409163-B1 Novel cyclic vinylogous N-hydroxy-N-methylureas useful as 5-lipoxygenase inhibitors MERRELL DOW PHARMA (US) 1994-12-21 EP disclosed