SCHEMBL5225381

SCHEMBL5225381

Nc1c(-c2ccccc2)c(C(F)(F)F)nc2ncnn12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 6/20 0.52
POLB P06746 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.43
MBOAT4 Q96T53 8/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ENPP1 P22413 1/20 0.39

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
SCHEMBL5229531 0.78 ALDH1A1 (0.47) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL10372114 0.78 NPC1 (0.56) KDM4EALDH1A1HPGDSMN1; SMN2MBOAT4
SCHEMBL5228618 0.77 MBOAT4 (0.60) MBOAT4ENPP1
SCHEMBL5228518 0.74 MBOAT4 (0.44) MBOAT4
SCHEMBL5226718 0.72 MBOAT4 (0.45) MBOAT4
SCHEMBL5225556 0.69 MBOAT4 (0.43) MBOAT4
SCHEMBL5229255 0.69 MBOAT4 (0.42) MBOAT4
SCHEMBL5228809 0.69 MBOAT4 (0.50) MBOAT4
SCHEMBL5226752 0.68 MBOAT4 (0.67) KDM4EALDH1A1HPGDMBOAT4ENPP1
SCHEMBL5593173 0.67 ALDH1A1 (0.72) KDM4EALDH1A1POLBSMN1; SMN2MAPT

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