SCHEMBL11748105

SCHEMBL11748105

COc1cc(NOc2ccccc2)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ABCB1 P08183 3/20 0.42
▸ ABCC1 P33527 2/20 0.42
▸ RORC P51449 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41

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
SCHEMBL6816524 0.79 MAPT (0.59) MAPTALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL7949126 0.76 L3MBTL1 (0.58) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL27863288 0.75 CRHBP (0.55) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL9538742 0.73 MAPT (0.59) MAPTALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL11661312 0.72 ALDH1A1 (0.48) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL2874199 0.72 LMNA (0.50) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL9116525 0.72 MAPT (0.62) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL26654911 0.72 ALDH1A1 (0.45) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL31457743 0.72 ALDH1A1 (0.45) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL6820117 0.70 HTR1A (0.51) MAPTALDH1A1HPGDTDP1SMN1; SMN2

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-4012512-A GROWTH-PROMOTING AGENTS CIBA-GEIGY CORPORATION (US) 1977-03-15 — — US disclosed
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