SCHEMBL2261756

SCHEMBL2261756

O=C(O)c1cnccc1I

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 16/20 0.53
▸ KDM6B O15054 7/20 0.53
▸ KDM4D Q6B0I6 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4A O75164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NAPRT Q6XQN6 2/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.42
▸ HCAR2 Q8TDS4 2/20 0.42
▸ APP P05067 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HCAR3 P49019 1/20 0.42

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
SCHEMBL1023235 0.84 KDM4C (0.61) KDM4CKDM6BKDM4DKDM4ETDP1
Hydrochloric Acid SCHEMBL4259779 0.83 KDM4C (0.59) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL5700319 0.81 TDP1 (0.46) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL15550884 0.81 SIRT3 (0.60) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL71335 0.79 KDM4C (0.65) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL29416303 0.79 KDM4C (0.65) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL5700454 0.79 KMT2A (0.55) KDM4CKDM4DALDH1A1MEN1MAPT
SCHEMBL19857493 0.77 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL28799175 0.77 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL30863845 0.77 KDM4C (0.57) KDM4CKDM6BKDM4DKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089384-B1 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-05 — — EP disclosed
US-7998969-B2 enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases ROCHE PALO ALTO LLC (US) 2011-08-16 — — US disclosed
EP-0832057-B1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CT INTERNAT DE (FR) 2001-01-03 — — EP disclosed
EP-0832057-A1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-04-01 — — EP disclosed
WO-1997033856-A1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 — — WO disclosed
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