SCHEMBL9035609

SCHEMBL9035609

CCCCCCCCCC(=O)NCCCCSc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
NAAA Q02083 2/20 0.53
MAPT P10636 1/20 0.50
CASP2 P42575 1/20 0.49
FAAH O00519 3/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
DNM1 Q05193 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
SCHEMBL9037484 1.00 HPGD (0.55) HPGDNAAAMAPTCASP2FAAH
SCHEMBL8966708 1.00 HPGD (0.55) HPGDNAAAMAPTCASP2FAAH
SCHEMBL8966869 1.00 HPGD (0.55) HPGDNAAAMAPTCASP2FAAH
SCHEMBL8966319 1.00 HPGD (0.55) HPGDNAAAMAPTCASP2FAAH
SCHEMBL9037432 1.00 HPGD (0.55) HPGDNAAAMAPTCASP2FAAH
SCHEMBL8966714 0.96 HPGD (0.56) HPGDNAAAMAPTCASP2FAAH
SCHEMBL8967192 0.96 HPGD (0.56) HPGDNAAAMAPTCASP2FAAH
SCHEMBL8967177 0.96 HPGD (0.56) HPGDNAAAMAPTCASP2FAAH
SCHEMBL8966750 0.96 HPGD (0.56) HPGDNAAAMAPTCASP2FAAH
SCHEMBL8966739 0.96 HPGD (0.56) HPGDNAAAMAPTCASP2FAAH

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
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP disclosed