SCHEMBL8928013

SCHEMBL8928013

O=C(CI)Nc1ccc(Nc2c(S(=O)(=O)O)ccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM1A O60341 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
RAD52 P43351 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 3/20 0.39
CTRB1 P17538 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL714638 0.81 TTR (0.51) MAPTPOLBL3MBTL1KDM4EKDM1A
SCHEMBL9508266 0.81 KMT2A (0.39) MAPTKMT2APOLBL3MBTL1KDM4E
SCHEMBL2177285 0.79 SNCA (0.50) MAPTKMT2APOLBL3MBTL1KDM4E
SCHEMBL10563277 0.74 ABCC9 (0.54) MAPTKMT2APOLBKDM4EMEN1
SCHEMBL10901227 0.74 CTRB1 (0.46) MAPTKMT2APOLBKDM4ESMN1; SMN2
SCHEMBL9338089 0.73 CTRB1 (0.44) KDM4ECTRB1GAARAB9ACYP1A2
SCHEMBL11442245 0.73 MEN1 (0.48) MAPTKMT2AKDM4EMEN1CTRB1
SCHEMBL10354309 0.72 CTRB1 (0.47) CTRB1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8919664 0.72 POLB (0.46) MAPTKMT2APOLBLMNAMEN1
SCHEMBL7194449 0.72 SNCA (0.51) MAPTKMT2APOLBL3MBTL1KDM4E

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-0458901-B1 INHIBITING TRANSFORMATION OF CELLS HAVING ELEVATED PURINE METABOLIC ENZYME ACTIVITY MASSACHUSETTS INST TECHNOLOGY (US) 1997-12-17 EP disclosed
US-5324731-A Method of inhibiting transformation of cells in which purine metabolic enzyme activity is elevated AMIRA, INC. (US) 1994-06-28 US disclosed