SCHEMBL29952643

SCHEMBL29952643

COc1cnc(C=O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ERN1 O75460 3/20 0.39
▸ FDPS P14324 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPGD P15428 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ S1PR4 O95977 2/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL24386866 1.00 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL29954314 0.85 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL28604786 0.85 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1223854 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4136393 0.79 FDPS (0.40) ALDH1A1MAPTMEN1KMT2AERN1
SCHEMBL29209409 0.78 ALDH1A1 (0.49) ALDH1A1ERN1FDPSTSHRKDM4E
SCHEMBL24386914 0.78 PRKDC (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
Formic Acid Methyl Ester SCHEMBL28061250 0.76 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AERN1
SCHEMBL29210595 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AERN1TDP1
SCHEMBL4152949 0.76 FDPS (0.40) ALDH1A1MAPTMEN1KMT2ALMNA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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