SCHEMBL7725095

SCHEMBL7725095

CC(C)n1c(-c2cccs2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
ALDH1A1 P00352 10/20 1.00
HPGD P15428 9/20 1.00
SMN1; SMN2 Q16637 2/20 0.66
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
LMNA P02545 3/20 0.64
MAPT P10636 8/20 0.61
HTT P42858 1/20 0.61
RCE1 Q9Y256 1/20 0.61
HSD17B10 Q99714 7/20 0.58
TSHR P16473 3/20 0.58
ALOX15 P16050 1/20 0.58
TP53 P04637 3/20 0.54
KMT2A Q03164 2/20 0.53
ESR2 Q92731 1/20 0.53
MEN1 O00255 1/20 0.53
ALPG P10696 1/20 0.52
GLA P06280 2/20 0.52
GAA P10253 2/20 0.52

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
SCHEMBL982188 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL13599981 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL6277710 0.76 KDM4E (0.81) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL2607467 0.76 ALDH1A1 (0.72) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL7721153 0.75 ALDH1A1 (0.59) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL8010723 0.74 ESR2 (0.79) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL2854775 0.73 HSD17B10 (0.57) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL13271457 0.73 ALDH1A1 (0.57) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7180606 0.72 ALDH1A1 (0.56) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL13377500 0.72 ALDH1A1 (0.56) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A

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-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed