SCHEMBL5226752

SCHEMBL5226752

Nc1c(Cc2ccc(Cl)cc2)c(C(F)(F)F)nc2ncnn12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 18/20 0.67
ENPP1 P22413 1/20 0.50
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL22968411 0.81 MBOAT4 (1.00) MBOAT4
SCHEMBL22968360 0.76 MBOAT4 (1.00) MBOAT4
SCHEMBL22968203 0.74 MBOAT4 (1.00) MBOAT4
SCHEMBL22968380 0.73 MBOAT4 (0.71) MBOAT4ENPP1
SCHEMBL6712952 0.72 ENPP1 (0.57) MBOAT4ENPP1KDM4EALDH1A1HPGD
SCHEMBL304348 0.72 MBOAT4 (0.50) MBOAT4
SCHEMBL5228485 0.72 MBOAT4 (0.50) MBOAT4
SCHEMBL5225182 0.72 MBOAT4 (0.50) MBOAT4
SCHEMBL22968266 0.71 MBOAT4 (1.00) MBOAT4
SCHEMBL21223116 0.71 MBOAT4 (1.00) MBOAT4

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
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