SCHEMBL5225240

SCHEMBL5225240

CC(C)c1c(Cl)nc2ncnn2c1N

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.44
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.36
ENPP1 P22413 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
SCHEMBL6379047 0.83 ALDH1A1 (0.40) MBOAT4ALDH1A1KDM4EENPP1
SCHEMBL5229101 0.77 ALDH1A1 (0.39) ALDH1A1POLBKDM4E
SCHEMBL5228518 0.77 MBOAT4 (0.44) MBOAT4
SCHEMBL5228771 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EENPP1
SCHEMBL5225820 0.75 LMNA (0.46) MBOAT4ALDH1A1KDM4EENPP1
SCHEMBL5228609 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EENPP1
SCHEMBL5229986 0.74 MBOAT4 (0.56) MBOAT4ALDH1A1POLB
SCHEMBL5229821 0.73 CRHR1 (0.38) ALDH1A1ENPP1
SCHEMBL5378540 0.73 CRHR1 (0.38) ALDH1A1ENPP1
SCHEMBL14398191 0.73 ALDH1A1 (0.36) MBOAT4ALDH1A1KDM4EENPP1

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