SCHEMBL8340571

SCHEMBL8340571

N=C(NO)C1C=Cc2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ P2RX4 Q99571 2/20 0.38
▸ HDAC3 O15379 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HPGD P15428 1/20 0.35
▸ MMP1 P03956 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ ELOVL6 Q9H5J4 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL8343101 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL8341195 0.87 KMT2A (0.59) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL8342341 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL8340574 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL8701084 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL8343305 0.76 LMNA (0.68) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL8342841 0.69 KMT2A (0.65) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL8343102 0.68 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL8341199 0.66 MEN1 (0.64) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL27890245 0.63 MEN1 (1.00) MEN1KMT2AALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939435-A TREATMENT OF ATHEROSCLEROSIS AND CORONARY HEART DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-17 — — US claimed
US-5939435-A TREATMENT OF ATHEROSCLEROSIS AND CORONARY HEART DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-17 — — US disclosed
WO-1998033775-A1 2-SUBSTITUTED-1-ACYL-1,2-DIHYDROQUINOLINE DERIVATIVES TO INCREASE HDL-CHOLESTEROL LEVEL AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-06 — — WO disclosed
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