SCHEMBL9857769

SCHEMBL9857769

C1=Cc2ccc3nc4ccccc4cc3c2NC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GLA P06280 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PTBP1 P26599 1/20 0.41
RCE1 Q9Y256 1/20 0.41
MAPT P10636 2/20 0.40
ACHE P22303 2/20 0.40
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HTR3A P46098 1/20 0.33
MEN1 O00255 1/20 0.32
IDO1 P14902 1/20 0.32
NQO2 P16083 2/20 0.32

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
SCHEMBL17422017 0.78 CYP3A4 (0.36) ALDH1A1KDM4EHPGDKMT2ARAB9A
SCHEMBL29639994 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAARAB9A
Acridine SCHEMBL27975848 0.74 MAPT (0.48) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL7546122 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL70023 0.72 MAPT (0.48) KDM4EKMT2ALMNAPOLBMAPT
SCHEMBL22588397 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL29639986 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EGLAHPGDKMT2A
Bromide SCHEMBL28730172 0.71 MAPT (0.47) KDM4EKMT2ALMNAPOLBMAPT
SCHEMBL4299906 0.71 ALDH1A1 (0.70) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL604336 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EGLAHPGDKMT2A

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
EP-0407097-A2 Sheet pallet NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-09 EP claimed