SCHEMBL3263275

SCHEMBL3263275

O=C(NCc1ccc(Cl)cc1)c1cccc(N2CCOCC2)c1.O=C1COc2ccc(S(=O)(=O)O)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.48
DRD4 P21917 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL3263279 0.87 DRD4 (0.50) POLBDRD4TRPV1KMT2ATP53
SCHEMBL3226550 0.81 KDM1A (0.61) ALDH1A1KDM1AHDAC1
SCHEMBL3263684 0.77 KDM1A (0.50) POLBKMT2AMEN1TP53KDM1A
SCHEMBL1966404 0.77 DRD4 (0.51) POLBDRD4TRPV1KMT2AMEN1
SCHEMBL3262609 0.75 KDM1A (0.49) POLBRXFP1KDM1AHDAC1
SCHEMBL14073127 0.72 TSHR (0.58) TSHRPOLBKMT2AMEN1MAPT
SCHEMBL3278485 0.72 MAPK1 (0.65) ALDH1A1KDM1AHDAC1
SCHEMBL14072363 0.72 MMP8 (0.48) TSHRDRD4TRPV1KMT2AKDM1A
SCHEMBL531798 0.70 TSHR (0.74) TSHRTP53MAPTALDH1A1
SCHEMBL17092920 0.70 MAOA (0.84) TSHRDRD4KDM1AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed