SCHEMBL14280242

SCHEMBL14280242

CC(C)(C)C1=CC(=CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C(C(C)(C)C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HIF1A Q16665 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ GPR35 Q9HC97 2/20 0.36
▸ PMM2 O15305 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
SCHEMBL13580425 0.90 PTPRC (0.40) ALDH1A1KMT2AMAPK1TDP1MAPT
SCHEMBL14280268 0.88 KMT2A (0.44) ALDH1A1KMT2AMAPK1TDP1MAPT
SCHEMBL14306621 0.87 ALDH1A1 (0.36) ALDH1A1KMT2AMAPK1TDP1MAPT
SCHEMBL14280243 0.84 VCAM1 (0.41) KMT2AMAPK1TDP1MAPTGPR35
SCHEMBL14280240 0.84 SMN1; SMN2 (0.41) ALDH1A1KMT2AMAPTCYP1A2HPGD
SCHEMBL14280250 0.83 KMT2A (0.38) ALDH1A1KMT2AMAPK1TDP1MAPT
SCHEMBL22238634 0.82 MEN1 (0.38) ALDH1A1KMT2AMAPK1TDP1MAPT
SCHEMBL13760889 0.82 MEN1 (0.38) ALDH1A1KMT2AMAPK1TDP1MAPT
SCHEMBL14253723 0.81 PMM2 (0.40) ALDH1A1KMT2AMAPK1TDP1MAPT
SCHEMBL14280239 0.81 KMT2A (0.44) ALDH1A1KMT2AMAPK1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314692-B2 Phenylazomethylene-cyclohexadienone derivatives comprising electron withdrawing group and electrophotographic photoreceptor comprising the derivatives SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-01 — — US disclosed
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