SCHEMBL27844926

SCHEMBL27844926

Nc1c([N+](=O)[O-])cc(-c2cc[nH]n2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.48
▸ TDP1 Q9NUW8 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 2/20 0.38
▸ CTSB P07858 1/20 0.37
▸ GALR3 O60755 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ LMNA P02545 2/20 0.35

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
SCHEMBL27825929 0.98 MAPT (0.47) MAPTTDP1MEN1KMT2APOLB
SCHEMBL27858187 0.82 MAPT (0.44) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29033968 0.81 MAPT (0.41) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29033980 0.78 MAPT (0.52) MAPTTDP1MEN1KMT2APOLB
SCHEMBL27708602 0.78 CYP19A1 (0.52) MAPTTDP1MEN1KMT2APOLB
SCHEMBL27680977 0.75 MEN1 (0.45) MAPTTDP1MEN1KMT2APOLB
SCHEMBL5264555 0.75 ALDH1A1 (0.32) MAPTTDP1MEN1KMT2APOLB
SCHEMBL20630984 0.73 CHEK1 (0.49) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL3014712 0.73 MAPT (0.49) MAPTTDP1MEN1KMT2APOLB
SCHEMBL28313237 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102336711-A 4-amino-3,5-dinitropyrazole lead salt as well as preparation method and application thereof XIAN MODERN CHEMISTRY RES INST 2012-02-01 — — CN disclosed
CN-102250007-A Preparation method of 3,4-binitropyrazole UNIV NORTH CHINA 2011-11-23 — — CN disclosed
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