SCHEMBL4599560

SCHEMBL4599560

CCNc1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 4/20 0.39
ALOX12 P18054 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
RIPK1 Q13546 2/20 0.37
HCAR3 P49019 1/20 0.37
ACHE P22303 1/20 0.37
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
POLB P06746 2/20 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
SCHEMBL4600228 0.81 ALDH1A1 (0.46) MAPTALDH1A1TSHRLMNATDP1
SCHEMBL4599766 0.80 MAPT (0.41) MAPTALDH1A1TSHRLMNATDP1
SCHEMBL27865244 0.79 MAPT (0.52) MAPTALDH1A1ALOX12HPGDTSHR
SCHEMBL4599148 0.78 MAPT (0.55) MAPTCYP1A2ALDH1A1ACHECYP3A4
SCHEMBL11741613 0.78 KMT2A (0.51) MAPTCYP1A2ALDH1A1ALOX12HPGD
SCHEMBL4600496 0.77 MEN1 (0.41) MAPTALDH1A1ALOX12HPGDTSHR
SCHEMBL4600195 0.76 POLB (0.56) MAPTCYP1A2ALDH1A1ALOX12HPGD
SCHEMBL4600239 0.76 KMT2A (0.60) MAPTALDH1A1MEN1CRHBPKMT2A
SCHEMBL11262706 0.75 SMN1; SMN2 (0.54) MAPTCYP1A2ALDH1A1HPGDLMNA
SCHEMBL7234292 0.75 MAPT (0.47) MAPTALDH1A1ALOX12HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
CN-111377907-B Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof 杭州百新生物医药科技有限公司 2023-03-28 CN disclosed
CN-111377907-A Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof 杭州百新生物医药科技有限公司 2020-07-07 CN disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed