SCHEMBL7672597

SCHEMBL7672597

O=c1c(Cc2ccccc2)cn2c3c(cc(Cl)cc13)Sc1cc(Cl)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.38
EGFR P00533 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
NR1H2 P55055 1/20 0.36
SNCA P37840 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34

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
SCHEMBL7672444 0.88 PLA2G7 (0.38) ALDH1A1MEN1KMT2AMAPTSNCA
SCHEMBL7666929 0.80 ALDH1A1 (0.41) PTGER1EGFRALDH1A1MEN1KMT2A
SCHEMBL6979231 0.73 EGFR (0.53) PTGER1EGFRALDH1A1MEN1KMT2A
SCHEMBL7668248 0.72 IDH1 (0.32) ALDH1A1MAPTHPGDBCHEACHE
SCHEMBL7666688 0.70 P2RX7 (0.35) ALDH1A1MEN1KMT2AMAPTTOP2A
SCHEMBL7670463 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7666716 0.66 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL7666630 0.64 EGFR (0.47) PTGER1EGFRALDH1A1MEN1KMT2A
SCHEMBL7670591 0.64 PDE3B (0.39) ALDH1A1MAPTHPGDNR1H2TOP2A
SCHEMBL7356620 0.63 KMT2A (0.46) ALDH1A1MEN1KMT2AMAPTHPGD

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-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed