SCHEMBL10697070

SCHEMBL10697070

CCn1ccc(NS(=O)(=O)c2ccccc2)nc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD11B1 P28845 1/20 0.44
KDM1A O60341 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40
NR1I2 O75469 1/20 0.40

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
Sulfacytine SCHEMBL49377 0.86 HTR6 (0.50) KDM4EALDH1A1TSHRMAPTSMN1; SMN2
Sulfacytine SCHEMBL28251252 0.82 CA1 (0.48) KDM4EALDH1A1TSHRUSP2MAPT
Sulfacytine SCHEMBL28122249 0.82 LMNA (0.60) KDM4EALDH1A1TSHRMEN1MAPT
SCHEMBL9806949 0.80 MAPT (0.43) HPGDMAPTKMT2ASMN1; SMN2POLB
SCHEMBL11919277 0.75 SMN1; SMN2 (0.54) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1093465 0.70 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL29967633 0.68 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL6026817 0.68 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL822366 0.67 NPSR1 (0.69) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL11915946 0.67 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDTSHR

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-0255100-A2 Use of trimetrexate and its salts for the preparation of pharmaceutical compositions for treating infections of the mycobacterium-avium-intracellulare complex WARNER-LAMBERT COMPANY (US) 1988-02-03 EP claimed
EP-0255100-A2 Use of trimetrexate and its salts for the preparation of pharmaceutical compositions for treating infections of the mycobacterium-avium-intracellulare complex WARNER-LAMBERT COMPANY (US) 1988-02-03 EP disclosed