SCHEMBL2369094

SCHEMBL2369094

CCc1nc([CH]c2ccccn2)c2c(-c3ccccc3)csc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 10/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 4/20 0.43
TSHR P16473 1/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 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
SCHEMBL6358973 0.79 LMNA (0.55) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2368665 0.78 LMNA (0.50) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5804191 0.78 FGFR1 (0.56) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL3383431 0.76 ALDH1A1 (0.44) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2369123 0.75 ALDH1A1 (0.55) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL3383435 0.74 TNF (0.67) LMNASMN1; SMN2ALDH1A1MAPK1KDM4E
SCHEMBL2368935 0.69 ALDH1A1 (0.44) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5790688 0.68 ADORA1 (0.50) LMNASMN1; SMN2ALDH1A1MAPK1ALOX15
SCHEMBL3385355 0.66 ALDH1A1 (0.45) LMNASMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL2369259 0.65 LMNA (0.41) LMNASMN1; SMN2NPC1RAB9AHPGD

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
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed