SCHEMBL4847831

SCHEMBL4847831

C=CCNc1nc(Cl)nc(CCCCC)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 5/20 0.46
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35

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
SCHEMBL4850834 0.91 GAA (0.42) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11581162 0.89 MAPT (0.48) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15402937 0.84 KMT2A (0.66) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11581459 0.83 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6180706 0.81 KMT2A (0.67) KMT2ALMNANR1I2AHR
SCHEMBL4856408 0.80 KMT2A (0.61) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20814432 0.78 LMNA (0.62) MAPTKMT2ALMNAGAANR1I2
SCHEMBL3414696 0.77 KMT2A (0.57) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20814429 0.76 KMT2A (0.54) CYP1A2CYP2C19KMT2ALMNAMEN1
SCHEMBL11785501 0.76 CYP1A2 (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed