SCHEMBL11112152

SCHEMBL11112152

COc1cc2c(c(OC)c1OC)-c1ccccc1OC2CNC#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PAX8 Q06710 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33

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
SCHEMBL11106307 0.81 KDM4E (0.40) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL11103684 0.81 KDM4E (0.43) KDM4EHSD17B10ALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL11113853 0.80 KDM4E (0.42) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL11111082 0.79 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL11108975 0.78 NR3C1 (0.54) NR3C1
SCHEMBL11105960 0.78 NR3C1 (0.39) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL11104375 0.77 KDM4E (0.54) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL11107045 0.76 MTNR1A (0.38) ALDH1A1TDP1MAPTTSHRKMT2A
SCHEMBL11110128 0.76 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL11104429 0.74 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDTDP1

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-4463001-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1984-07-31 US disclosed