SCHEMBL11601649

SCHEMBL11601649

COc1ccc2nc(Cl)nnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 3/20 0.56
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
LMNA P02545 1/20 0.56
NQO2 P16083 1/20 0.56
MAPT P10636 2/20 0.45
THRB P10828 2/20 0.45
BLM P54132 2/20 0.45
CASP6 P55212 1/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
PTPN7 P35236 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL11602178 0.81 PDE3B (0.40) ALDH1A1KMT2AKDM4ERAB9AMEN1
SCHEMBL1160610 0.79 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4ERAB9AMEN1
SCHEMBL31399998 0.79 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4ERAB9AMEN1
SCHEMBL8399923 0.78 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4ERAB9AMEN1
SCHEMBL10214298 0.78 MEN1 (0.87) ALDH1A1KMT2AKDM4ERAB9AMEN1
SCHEMBL30259174 0.77 NPC1 (0.45) RAB9ASMN1; SMN2NPC1LMNABLM
SCHEMBL11442590 0.76 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4ERAB9AMEN1
SCHEMBL28033607 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4ERAB9AMEN1
SCHEMBL11251348 0.74 PIK3CG (0.64) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL3555337 0.74 MEN1 (0.51) ALDH1A1KMT2AKDM4ERAB9AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4067981-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed