SCHEMBL11849955

SCHEMBL11849955

Cc1nnc2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 5/20 0.46
▸ F2RL3 Q96RI0 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ F2R P25116 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ELANE P08246 2/20 0.45
▸ THRB P10828 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ MAT2A P31153 1/20 0.43
▸ HPGD P15428 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
SCHEMBL11819978 0.85 MAPT (0.41) L3MBTL1MAPTMEN1KMT2ANPSR1
SCHEMBL10842650 0.80 NPSR1 (0.53) L3MBTL1MAPTF2RL3MEN1KMT2A
SCHEMBL11834615 0.79 MAT2A (0.64) L3MBTL1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL11822371 0.79 MAT2A (0.46) L3MBTL1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL11702410 0.78 L3MBTL1 (0.58) L3MBTL1MAPTF2RL3MEN1KMT2A
SCHEMBL10841737 0.74 THRB (0.61) L3MBTL1MAPTMEN1KMT2ANPSR1
SCHEMBL30979014 0.70 ABCG2 (0.52) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL981612 0.70 MAPT (0.54) L3MBTL1MAPTF2RL3MEN1KMT2A
SCHEMBL10841715 0.70 THRB (0.45) L3MBTL1MAPTMEN1KMT2ANPSR1
SCHEMBL10842636 0.68 POLB (0.51) MAPTMEN1KMT2ANPSR1SMN1; 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-4000151-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 — — US disclosed
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