SCHEMBL28519613

SCHEMBL28519613

CC(C)(C)OC(N)=O.Fc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
CYP17A1 P05093 3/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
CDC7 O00311 1/20 0.36
KCNN4 O15554 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK14 Q16539 1/20 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
SCHEMBL27805296 0.82 LMNA (0.43) KMT2ARAB9ALMNACYP17A1SMN1; SMN2
Fluorobenzene SCHEMBL27926129 0.81 KCNN4 (0.46) KMT2AMEN1RAB9AKCNN4
Pyridine SCHEMBL27738346 0.77 TSHR (0.38) KMT2AMEN1RAB9ALMNACYP17A1
SCHEMBL114617 0.74 CYP19A1 (0.53) KMT2ALMNACYP17A1CDC7
Tert-Butylamine SCHEMBL9998487 0.73 DGAT1 (0.39) USP2LMNASMN1; SMN2
SCHEMBL30234788 0.73 DGAT1 (0.42) USP2LMNASMN1; SMN2
SCHEMBL28902273 0.73 DGAT1 (0.42) USP2LMNASMN1; SMN2
SCHEMBL28325001 0.73 DGAT1 (0.42) USP2LMNASMN1; SMN2
SCHEMBL3094 0.73
Bromide SCHEMBL28788279 0.72 CA12 (0.47) KMT2ACYP17A1

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-112250622-B Preparation method of 4-fluoropyridine-2-amine 山东省海洋化工科学研究院 2022-05-27 CN disclosed
CN-112250622-A Preparation method of 4-fluoropyridine-2-amine 山东省海洋化工科学研究院 2021-01-22 CN disclosed