SCHEMBL8978588

SCHEMBL8978588

CCn1c(-c2cc(OC)c(OC)cc2N)n[nH]c1=S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
KDM4E B2RXH2 7/20 0.62
KMT2A Q03164 4/20 0.62
HSD17B10 Q99714 2/20 0.62
HTT P42858 2/20 0.60
HPGD P15428 5/20 0.53
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
PKM P14618 1/20 0.49
GLA P06280 1/20 0.49
GFER P55789 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL8978653 0.82 KDM4E (0.58) ALDH1A1KDM4EKMT2AHSD17B10HTT
SCHEMBL8978579 0.81 KDM4E (0.54) ALDH1A1KDM4EKMT2AHSD17B10HTT
SCHEMBL8978540 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AHSD17B10HTT
SCHEMBL8978608 0.78 ALDH1A1 (0.74) ALDH1A1KDM4EKMT2AHSD17B10HTT
SCHEMBL8978530 0.78 GFER (0.74) ALDH1A1KDM4EKMT2AHSD17B10HTT
SCHEMBL8978521 0.77 KDM4E (1.00) ALDH1A1KDM4EKMT2AHSD17B10HTT
SCHEMBL8978548 0.76 APOBEC3G (0.62) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL8978556 0.74 ALDH1A1 (0.69) ALDH1A1KDM4EKMT2AHSD17B10HTT
SCHEMBL8978600 0.73 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AHSD17B10HTT
SCHEMBL8978559 0.70 GFER (0.74) ALDH1A1KDM4EKMT2AHSD17B10HTT

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-5489598-A INHIBITS ADHESION OF MAC-1 TO ENDOTHELIAL CELLS, USEFUL FOR TREATING GASTRITIS INDUCED BY NONSTEROIDANTIINFLAMMATORY DRUGS IMFLAMMATORY BOWEL DISEASE OF ULCERATIVE COLITIS WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed