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SCHEMBL31165259

SCHEMBL31165259

C=Cc1ccc(Cn2c3ccccc3c3cc(N(c4ccc(OC)cc4)c4ccc5c(c4)C4(c6cc(N(c7ccc(OC)cc7)c7ccc8c(c7)c7ccccc7n8Cc7ccc(C=C)cc7)ccc6-5)c5cc(N(c6ccc(OC)cc6)c6ccc7c(c6)c6ccccc6n7Cc6ccc(C=C)cc6)ccc5-c5ccc(N(c6ccc(OC)cc6)c6ccc7c(c6)c6ccccc6n7Cc6ccc(C=C)cc6)cc54)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.44
▸ MAPT P10636 4/20 0.41
▸ MAPK1 P28482 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ PSMD14 O00487 1/20 0.37
▸ TSPO P30536 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ SMPD1 P17405 3/20 0.37
▸ TP53 P04637 3/20 0.37
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PER2 O15055 1/20 0.36
▸ CRY1 Q16526 1/20 0.36
▸ CRY2 Q49AN0 1/20 0.36

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
SCHEMBL22485681 0.82 MAPT (0.41) P2RX4MAPTMAPK1LMNAHTT
SCHEMBL24022286 0.81 MAPT (0.45) MAPTMAPK1LMNAHTTPOLB
SCHEMBL31165231 0.80 MAOB (0.36) MAPTLMNATP53KDM4E
SCHEMBL18084007 0.78 P2RX4 (0.54) P2RX4MAPTMAPK1LMNAPOLB
SCHEMBL21940560 0.78 GRIK2 (0.44) P2RX4MAPTMAPK1LMNAHTT
SCHEMBL21939861 0.77 MAPT (0.41) MAPTMAPK1LMNAHTTPOLB
SCHEMBL21940168 0.77 MAPT (0.41) MAPTMAPK1LMNAHTTPOLB
SCHEMBL17414871 0.77 P2RX4 (0.53) P2RX4MAPTMAPK1HTTPOLB
SCHEMBL21939984 0.77 KDM4E (0.41) MAPTLMNAHTTSMN1; SMN2KMT2A
SCHEMBL21940559 0.76 MAPT (0.41) MAPTMAPK1LMNAHTTPOLB

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
EP-4447643-A1 IN-SITU CROSSLINKING OF 9,9`-SPIROBIFLUORENE-BASED COMPOUNDS FOR USE IN OPTOELECTRONIC AND/OR PHOTOELECTROCHEMICAL DEVICES AND MANUFACTURE THEREOF Kaunas University of Technology (LT) 2024-10-16 — — EP claimed
EP-4447643-A1 IN-SITU CROSSLINKING OF 9,9`-SPIROBIFLUORENE-BASED COMPOUNDS FOR USE IN OPTOELECTRONIC AND/OR PHOTOELECTROCHEMICAL DEVICES AND MANUFACTURE THEREOF Kaunas University of Technology (LT) 2024-10-16 — — EP disclosed
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