SCHEMBL11819978

SCHEMBL11819978

Cc1nnc2cc(-c3ccccc3Cl)c3cc([N+](=O)[O-])ccc3n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ NPBWR1 P48145 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL11849955 0.85 L3MBTL1 (0.50) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL11825860 0.82 MAT2A (0.48) KMT2AMEN1HPGDL3MBTL1SMN1; SMN2
SCHEMBL11823985 0.81 SMN1; SMN2 (0.45) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL11826249 0.80 HSD11B1 (0.47) HPGDL3MBTL1SMN1; SMN2BRD4KDM4E
SCHEMBL11826377 0.77 PDE2A (0.47) SMN1; SMN2BRD4ALDH1A1FNTAFNTB
SCHEMBL11825891 0.71 MAT2A (0.47) L3MBTL1SMN1; SMN2BRD4LMNAFNTA
SCHEMBL10842650 0.70 NPSR1 (0.53) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL11822266 0.69 NPBWR1 (0.56) MAPTNPBWR1KMT2AMEN1HPGD
SCHEMBL11834615 0.69 MAT2A (0.64) KMT2AMEN1HPGDL3MBTL1SMN1; SMN2
SCHEMBL11702410 0.68 L3MBTL1 (0.58) MAPTKMT2AMEN1HPGDL3MBTL1

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
US-4000153-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 — — US disclosed
US-4000151-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 — — US disclosed
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