SCHEMBL5229531

SCHEMBL5229531

Nc1c(-c2ccccc2)c(Cl)nc2ncnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 8/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.46
MBOAT4 Q96T53 3/20 0.45
POLB P06746 2/20 0.44
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 3/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
HCRTR1 O43613 1/20 0.39
TP53 P04637 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
SCHEMBL868326 0.84 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL14375957 0.83 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL8117996 0.82 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL10372114 0.82 NPC1 (0.56) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL5263898 0.79 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL5225381 0.78 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL4819849 0.76 MBOAT4 (0.44) ALDH1A1MBOAT4POLBTSHRKMT2A
SCHEMBL4821793 0.76 TSHR (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL22968380 0.75 MBOAT4 (0.71) MBOAT4
SCHEMBL5231940 0.75 ENPP1 (0.55) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT

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