SCHEMBL11449986

SCHEMBL11449986

O=c1c2c(nc3n1CCCC3)CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
TSHR P16473 2/20 0.54
CASP1 P29466 1/20 0.54
ALDH1A1 P00352 8/20 0.52
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
MTHFD2 P13995 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL10856015 0.98 ALDH1A1 (0.55) GAATSHRCASP1ALDH1A1POLB
SCHEMBL11049965 0.98 SMN1; SMN2 (0.53) GAATSHRCASP1ALDH1A1POLB
Hydrochloric Acid SCHEMBL10856957 0.97 ALDH1A1 (0.54) GAATSHRCASP1ALDH1A1POLB
SCHEMBL10860457 0.96 ALDH1A1 (0.54) GAATSHRCASP1ALDH1A1POLB
Hydrochloric Acid SCHEMBL10858250 0.95 ALDH1A1 (0.52) GAATSHRCASP1ALDH1A1POLB
Perchlorate SCHEMBL10863084 0.89 ALDH1A1 (0.48) GAATSHRCASP1ALDH1A1POLB
SCHEMBL17624388 0.72 MTHFD2 (0.48) GAATSHRCASP1ALDH1A1POLB
Benzene SCHEMBL11192509 0.70 MEN1 (0.46) GAATSHRCASP1ALDH1A1POLB
SCHEMBL2953501 0.69 ALDH1A1 (1.00) GAATSHRCASP1ALDH1A1POLB
SCHEMBL10613505 0.69 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2NPC1RAB9A

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-4220771-A MORPHINE POTENTIATORS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1980-09-02 US disclosed