SCHEMBL9102023

SCHEMBL9102023

Cc1ccc2ncccc2c1.O=C(O)c1ccc2ncccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
ALOX15 P16050 1/20 0.60
HTT P42858 1/20 0.60
PLK1 P53350 1/20 0.60
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
POLB P06746 1/20 0.59
DOT1L Q8TEK3 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MGAM O43451 1/20 0.51
GAA P10253 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BCAT1 P54687 1/20 0.49
MCL1 Q07820 1/20 0.49
PABPC1 P11940 1/20 0.49

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
SCHEMBL29489054 0.91 HTT (0.66) ALDH1A1ALOX15HTTPLK1RAB9A
SCHEMBL323178 0.91 HTT (0.66) ALDH1A1ALOX15HTTPLK1RAB9A
Hydrochloric Acid SCHEMBL7309164 0.89 HTT (0.64) ALDH1A1ALOX15HTTPLK1RAB9A
Hydrochloric Acid SCHEMBL998803 0.89 HTT (0.64) ALDH1A1ALOX15HTTPLK1RAB9A
Oxalic Acid SCHEMBL10954586 0.87 ALDH1A1 (0.79) ALDH1A1ALOX15HTTPLK1RAB9A
Quinoline SCHEMBL28071416 0.86 MGAM (0.65) ALDH1A1ALOX15HTTPLK1RAB9A
SCHEMBL130884 0.83 ALDH1A1 (1.00) ALDH1A1ALOX15HTTPLK1RAB9A
Ammonia Solution, Strong SCHEMBL27491586 0.82 ALDH1A1 (0.96) ALDH1A1ALOX15HTTPLK1RAB9A
SCHEMBL16111042 0.80 ALDH1A1 (0.85) ALDH1A1ALOX15HTTPLK1RAB9A
Methylamine SCHEMBL23929917 0.80 ALDH1A1 (0.92) ALDH1A1ALOX15HTTPLK1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707656-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
WO-1995002061-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1995-01-19 WO disclosed