SCHEMBL5227567

SCHEMBL5227567

CCCc1c(C(F)(F)F)nc2ncnn2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 9/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
KDM5B Q9UGL1 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL14337399 0.83 MBOAT4 (0.38) MBOAT4ALDH1A1KDM4EHPGDKDM5B
SCHEMBL14337376 0.74 MEN1 (0.40) MBOAT4ALDH1A1KDM4EHPGDLMNA
SCHEMBL304348 0.74 MBOAT4 (0.50) MBOAT4GAA
SCHEMBL5228485 0.74 MBOAT4 (0.50) MBOAT4GAA
SCHEMBL5225182 0.74 MBOAT4 (0.50) MBOAT4GAA
SCHEMBL4879548 0.71 ENPP1 (0.52) ALDH1A1HPGDLMNAGAARAB9A
SCHEMBL5593524 0.70 GAA (0.47) MBOAT4ALDH1A1KDM4ELMNAGAA
SCHEMBL1646899 0.69 ALDH1A1 (0.50) ALDH1A1LMNAGAARAB9AL3MBTL1
SCHEMBL5228809 0.69 MBOAT4 (0.50) MBOAT4
SCHEMBL5227195 0.68 MBOAT4 (0.49) 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 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 disclosed
US-7307172-B2 7-amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-12-11 US disclosed
EP-1414302-B1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2007-03-21 EP disclosed