SCHEMBL7708743

SCHEMBL7708743

CC1(C)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL9815349 0.73 KDM4E (0.30) KDM4EMAPT
SCHEMBL7711516 0.72 MMP2 (0.39) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL7708734 0.71 MGAT2 (0.38) ALDH1A1GAAMAPT
SCHEMBL8423510 0.70 ALDH1A1 (0.42) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL7711508 0.69 MGAT2 (0.36)
SCHEMBL7711634 0.69 KMT2A (0.37) ALDH1A1GAALMNAMAPK1KDM4E
SCHEMBL7711524 0.69 CYP19A1 (0.39) MAPT
SCHEMBL6378618 0.69 ALDH1A1 (0.33) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL6425505 0.69 ALDH1A1 (0.33) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL6425510 0.69 ALDH1A1 (0.33) ALDH1A1GAALMNAMAPK1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486781-A Method for synthesizing 6, 6-dimethyl-3-azabicyclo [3.1.0] hexane 风火轮(上海)生物科技有限公司 2024-02-02 CN disclosed
US-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed