SCHEMBL7985572

SCHEMBL7985572

Brc1ccnc2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RCE1 Q9Y256 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
NTSR1 P30989 1/20 0.44
RAD52 P43351 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
SCHEMBL11150595 0.77 CYP3A4 (0.41) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL7971711 0.76 MAPT (0.55) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL7972463 0.76 NCF1 (0.59) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL11332805 0.76 ALDH1A1 (0.50) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL7972118 0.76 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL244384 0.74 NCF1 (0.56) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL29923695 0.74 NCF1 (0.56) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL2170635 0.73 PRKCI (0.38) KMT2AHTTMEN1KDM4ESMN1; SMN2
SCHEMBL2790453 0.73 PIK3CA (0.57) PI4KAPI4K2BPI4K2API4KBMAPT
SCHEMBL1193688 0.73 NQO2 (0.57) PI4KAPI4K2BPI4K2API4KBMAPT

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-6274596-B1 MICROBIOCIDES FOR DRUG RESISTANCE INFECTIONS ANADYS PHARMACEUTICALS, INC. 2001-08-14 US disclosed
WO-2000024389-A2 BENZOQUINOLINE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS ANADYS PHARMACEUTICALS, INC. (US) 2000-05-04 WO disclosed