SCHEMBL5226824

SCHEMBL5226824

CC(C)c1c(Cl)nc2ncnn2c1NC(C)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.33
IDH1 O75874 4/20 0.32
IDH2 P48735 3/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
CRHR1 P34998 1/20 0.31

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
SCHEMBL5226817 1.00 MBOAT4 (0.36) MBOAT4ALDH1A1KDM4EHPGDTSHR
SCHEMBL14398194 0.88 ALDH1A1 (0.36) MBOAT4ALDH1A1KDM4ETSHRLMNA
SCHEMBL14398191 0.88 ALDH1A1 (0.36) MBOAT4ALDH1A1KDM4ETSHRLMNA
SCHEMBL5229101 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL5228771 0.83 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRLMNAGAA
SCHEMBL5228609 0.83 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRLMNAGAA
SCHEMBL5228303 0.82 LMNA (0.42) MBOAT4ALDH1A1TSHRLMNAGAA
SCHEMBL5228285 0.82 LMNA (0.42) MBOAT4ALDH1A1TSHRLMNAGAA
SCHEMBL7958987 0.81 ALDH1A1 (0.36) MBOAT4ALDH1A1KDM4EHPGDTSHR
SCHEMBL5229821 0.81 CRHR1 (0.38) ALDH1A1TSHRLMNAGAARAB9A

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