SCHEMBL5229101

SCHEMBL5229101

CC(C)Nc1c(C(C)C)c(Cl)nc2ncnn12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
CREBBP Q92793 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 2/20 0.34
CRHR1 P34998 1/20 0.34
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL5228609 0.89 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRLMNAL3MBTL1
SCHEMBL5228771 0.89 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRLMNAL3MBTL1
SCHEMBL14398191 0.86 ALDH1A1 (0.36) ALDH1A1MAPK1TSHRLMNAL3MBTL1
SCHEMBL5229821 0.86 CRHR1 (0.38) ALDH1A1MAPK1TSHRLMNAL3MBTL1
SCHEMBL14398194 0.86 ALDH1A1 (0.36) ALDH1A1MAPK1TSHRLMNAL3MBTL1
SCHEMBL5378540 0.86 CRHR1 (0.38) ALDH1A1MAPK1TSHRLMNAL3MBTL1
SCHEMBL5226824 0.85 MBOAT4 (0.36) ALDH1A1MAPK1TSHRLMNAL3MBTL1
SCHEMBL5226817 0.85 MBOAT4 (0.36) ALDH1A1MAPK1TSHRLMNAL3MBTL1
SCHEMBL14337411 0.81 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRLMNAL3MBTL1
SCHEMBL6379047 0.80 ALDH1A1 (0.40) ALDH1A1MAPK1TSHRLMNAL3MBTL1

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