SCHEMBL14280399

SCHEMBL14280399

COc1ccc2c(c1)c(=O)c1cc(OC)ccc1n2Cc1ccc(C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 2/20 0.63
▸ TSHR P16473 3/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ LMNA P02545 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ ACHE P22303 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ PMP22 Q01453 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ RGS12 O14924 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ GNAI1 P63096 1/20 0.52
▸ HIF1A Q16665 1/20 0.52

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
SCHEMBL14280388 0.83 P2RX4 (0.77) P2RX4TSHRMAPK1KMT2ALMNA
SCHEMBL5446428 0.78 P2RX4 (0.67) P2RX4TSHRMAPK1KMT2ALMNA
SCHEMBL14160793 0.78 P2RX4 (1.00) P2RX4MAPK1KMT2ALMNAALDH1A1
SCHEMBL31218963 0.78 PTGS2 (0.64) P2RX4TSHRMAPK1KMT2AMAPT
SCHEMBL31219083 0.78 KMT2A (0.53) P2RX4TSHRMAPK1KMT2ALMNA
SCHEMBL5446424 0.77 P2RX4 (0.66) P2RX4TSHRMAPK1KMT2ALMNA
SCHEMBL14280392 0.77 KDM4E (0.59) TSHRMAPK1KMT2AMAPTTP53
SCHEMBL31219056 0.76 P2RX4 (0.51) P2RX4TSHRMAPK1KMT2ALMNA
SCHEMBL12692736 0.76 ALDH1A1 (0.57) TSHRMAPK1KMT2AALDH1A1ACHE
SCHEMBL5437224 0.76 KMT2A (0.60) P2RX4TSHRMAPK1KMT2ALMNA

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-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 — — US disclosed
US-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 — — US disclosed
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