SCHEMBL7708684

SCHEMBL7708684

COc1cccc(C2(C)C(C#N)C(=O)NC(=O)C2C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM1A O60341 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRND Q07001 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
PARP1 P09874 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
SCHEMBL7713921 0.82 ALDH1A1 (0.38) KMT2ADDB1CRBNCHRNA1CHRNG
SCHEMBL7711516 0.79 MMP2 (0.39) HCAR2MAPTALDH1A1KDM4EGAA
SCHEMBL7705311 0.77 HCAR3 (0.43) HCAR2KDM1ACES2SLC6A2SLC6A3
SCHEMBL7705319 0.71 KMT2A (0.41) KMT2ADDB1CRBNMAPTMEN1
SCHEMBL5856716 0.71 HCAR2 (0.40) HCAR2KMT2ADDB1CRBNSLC6A2
SCHEMBL7708734 0.71 MGAT2 (0.38) DDB1CRBNCHRNA1CHRNGCHRNB1
SCHEMBL7711504 0.71 MMP2 (0.39) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7711634 0.70 KMT2A (0.37) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7712056 0.70 MMP2 (0.42) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL7712066 0.69 CA1 (0.36) KMT2ACES1MAPTMEN1ALDH1A1

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-118685476-A Analysis of outer coating metabolite of halophila fermented bamboo fungus eggs and application of same in promotion of antioxidant activity 西安交通大学 2024-09-24 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