SCHEMBL5229986

SCHEMBL5229986

CCc1c(Cl)nc2ncnn2c1N

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 16/20 0.56
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL5799693 0.84 MBOAT4 (0.51) MBOAT4GAA
SCHEMBL5227025 0.83 MBOAT4 (0.50) MBOAT4GAA
SCHEMBL5229324 0.80 MBOAT4 (0.63) MBOAT4
SCHEMBL22968380 0.78 MBOAT4 (0.71) MBOAT4
SCHEMBL5108626 0.75 MBOAT4 (0.43) MBOAT4
SCHEMBL5227392 0.75 MBOAT4 (0.40) MBOAT4ALDH1A1LMNAGAARAB9A
SCHEMBL21222988 0.74 MBOAT4 (0.56) MBOAT4
SCHEMBL5225240 0.74 MBOAT4 (0.44) MBOAT4ALDH1A1POLB
SCHEMBL3869997 0.74 GAA (0.42) MBOAT4GAA
SCHEMBL302684 0.74 GAA (0.42) MBOAT4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307172-B2 7-amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-12-11 US claimed
EP-1414302-B1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2007-03-21 EP claimed
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 EP claimed