SCHEMBL27770376

SCHEMBL27770376

O=C(O)CNNNCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 1/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLA2G1B P04054 2/20 0.43
ATG4B Q9Y4P1 2/20 0.43
HPGD P15428 3/20 0.42
P4HTM Q9NXG6 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27770375 0.89 HTT (0.54) HTTALDH1A1RAB9ALMNANPC1
SCHEMBL402730 0.83 CYP2D6 (0.47) ALDH1A1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL1202552 0.79 HTT (0.61) HTTALDH1A1RAB9ALMNANPC1
SCHEMBL1240060 0.76 ALDH1A1 (0.51) HTTALDH1A1RAB9ALMNANPC1
SCHEMBL22129790 0.73 PLA2G1B (0.56) HTTLMNAKMT2ACYP2C19PLA2G1B
SCHEMBL4622917 0.71 THRB (0.48) ALDH1A1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL2553685 0.71 HTT (0.65) HTTALDH1A1RAB9ALMNANPC1
SCHEMBL9509093 0.71 LDHA (0.44) ALDH1A1LMNACYP2C19
SCHEMBL21776624 0.70 LMNA (0.49) HTTALDH1A1RAB9ALMNANPC1
SCHEMBL8338756 0.70 LMNA (0.49) HTTALDH1A1RAB9ALMNANPC1

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
CN-101495120-A Composition for induction or inhibition of stem cell differentiation CHOONGWAE PHARMA CORP (KR) 2009-07-29 CN disclosed