SCHEMBL27765963

SCHEMBL27765963

COc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ DHODH Q02127 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
SCHEMBL27829596 0.91 ALDH1A1 (0.45) KDM4EL3MBTL1ALDH1A1MAPTTP53
SCHEMBL20610690 0.86 ALDH1A1 (0.41) KDM4EL3MBTL1ALDH1A1MAPTTP53
SCHEMBL29915582 0.81 GABRA1 (0.36) KDM4EALDH1A1
SCHEMBL2951395 0.80 ALOX5 (0.43) KDM4ETDP1L3MBTL1KMT2AALDH1A1
SCHEMBL27809098 0.79 GABRA1 (0.33) —
SCHEMBL9429841 0.78 MGAM (0.39) KDM4EL3MBTL1ALDH1A1MAPTDHODH
SCHEMBL2950385 0.73 BRD4 (0.40) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL31471705 0.73 CDC25A (0.37) KDM4EL3MBTL1
SCHEMBL29148788 0.72 AMY1A (0.43) KDM4ETDP1ALDH1A1MAPTTP53
SCHEMBL28843869 0.72 NPC1 (0.40) KDM4ETDP1KMT2AALDH1A1MEN1

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
CN-101606933-A Dihydro porphin photosensitizer and preparation thereof and application UNIV DONGHUA (CN) 2009-12-23 — — CN claimed
CN-101606933-A Dihydro porphin photosensitizer and preparation thereof and application UNIV DONGHUA (CN) 2009-12-23 — — CN disclosed
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