SCHEMBL9525314

SCHEMBL9525314

CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 15/20 1.00
KMT2A Q03164 15/20 1.00
MAPT P10636 12/20 1.00
ALDH1A1 P00352 10/20 1.00
PKM P14618 3/20 1.00
ABCG2 Q9UNQ0 1/20 1.00
LMNA P02545 5/20 0.69
KDM4E B2RXH2 5/20 0.69
NPC1 O15118 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
POLB P06746 4/20 0.69
RAB9A P51151 3/20 0.69
HTT P42858 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
ALOX12 P18054 1/20 0.69
AMY1A P0DUB6 2/20 0.63
HSP90AA1 P07900 2/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49

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
SCHEMBL9525779 0.84 MEN1 (0.72) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL9525787 0.84 MEN1 (0.72) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL9527009 0.81 KDM4E (0.74) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL444648 0.80 KDM4E (1.00) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL420976 0.80 KDM4E (1.00) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL9524415 0.79 KDM4E (0.67) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL6733051 0.79 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL9525471 0.77 KDM4E (0.68) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL29183817 0.77 AMY1A (0.78) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL29518154 0.77 MAPT (0.72) MEN1KMT2AMAPTALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274642-B1 HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES BAYER AG (DE) 1993-08-11 EP claimed
US-5162528-A Pre- and post-emergence; phytaphthora in tomato plants; rice and wheat BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US claimed
EP-0274642-A2 Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives BAYER AG (DE) 1988-07-20 EP claimed
EP-0274642-B1 HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES BAYER AG (DE) 1993-08-11 EP disclosed
US-5162528-A Pre- and post-emergence; phytaphthora in tomato plants; rice and wheat BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-5028717-A Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
US-4909827-A Containing a C6-10 aryl group substituted in position 1 BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed
EP-0274642-A2 Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives BAYER AG (DE) 1988-07-20 EP disclosed