SCHEMBL11664353

SCHEMBL11664353

N[C@@H](Cc1ccccc1)C(=O)OCC(O)COc1ccc([N+](=O)[O-])cc1.O=C(OF)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DRD4 P21917 1/20 0.44
▸ MMP2 P08253 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ MC4R P32245 1/20 0.38
▸ ABCB1 P08183 2/20 0.38

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
SCHEMBL11664907 0.90 MEN1 (0.63) MEN1KMT2AALDH1A1PKMMAPK1
Hydrochloric Acid SCHEMBL11664904 0.89 MEN1 (0.61) MEN1KMT2AALDH1A1PKMMAPK1
SCHEMBL11662412 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1PKMMAPK1
SCHEMBL11662218 0.81 MEN1 (0.53) MEN1KMT2AALDH1A1PKMMAPK1
SCHEMBL11665358 0.75 MMP2 (0.66) MEN1KMT2AALDH1A1PKMMAPK1
Bromide SCHEMBL11663292 0.75 MMP2 (0.64) MEN1KMT2AALDH1A1PKMMAPK1
SCHEMBL4696038 0.74 MMP2 (0.53) MEN1KMT2AALDH1A1PKMMMP2
SCHEMBL31143746 0.74 MMP2 (0.53) MEN1KMT2AALDH1A1PKMMMP2
SCHEMBL1715459 0.74 MMP2 (0.53) MEN1KMT2AALDH1A1PKMMMP2
Bromide SCHEMBL27618551 0.73 MMP2 (0.52) MEN1KMT2AALDH1A1PKMMMP2

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-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 — — US disclosed
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