SCHEMBL2443500

SCHEMBL2443500

CC(C)c1cc(C2(c3ccc(Oc4ccc(N)cc4)c(C(C)C)c3)c3ccccc3-c3ccccc32)ccc1Oc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
OPRK1 P41145 1/20 0.51
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAOA P21397 1/20 0.35
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2442533 0.93 MEN1 (0.51) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL2440276 0.90 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL2446277 0.85 LMNA (0.46) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL29418397 0.85 LMNA (0.46) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL3884293 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL2446794 0.83 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL2444922 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL25251979 0.83 ESR1 (0.46) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL29418509 0.82 KDM4E (0.44) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL3875126 0.82 KDM4E (0.44) SMN1; SMN2MEN1KMT2AMAPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128193-B1 POROUS POLYIMIDE IBIDEN CO LTD (JP) 2013-06-19 EP disclosed
US-8022110-B2 Porous polyimide IBIDEN CO., LTD. (JP) 2011-09-20 US disclosed
US-20100048745-A1 POROUS POLYIMIDE IBIDEN CO., LTD (JP) 2010-02-25 US disclosed
EP-2128193-A1 POROUS POLYIMIDE Ibiden Co., Ltd. (JP) 2009-12-02 EP disclosed