SCHEMBL29958261

SCHEMBL29958261

O=Cc1c(Cl)nn(-c2ccc(Cl)cc2Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
RPA1 P27694 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRM1 P35372 2/20 0.40
MARS1 P56192 3/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CNR2 P34972 2/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 2/20 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
SCHEMBL2561030 1.00 LMNA (0.43) LMNARPA1ALDH1A1TDP1OPRM1
SCHEMBL2552828 0.88 HTT (0.46) ALDH1A1TDP1OPRM1L3MBTL1NPSR1
SCHEMBL2561348 0.85 MARS1 (0.36) LMNAALDH1A1MARS1KMT2A
SCHEMBL15333245 0.85 LMNA (0.53) LMNARPA1OPRM1PKML3MBTL1
SCHEMBL5768692 0.81 LMNA (0.50) LMNARPA1ALDH1A1MARS1CNR2
SCHEMBL15330896 0.81 OPRL1 (0.41) LMNAOPRM1PKML3MBTL1CDK4
SCHEMBL15332421 0.81 LMNA (0.39) LMNARPA1ALDH1A1TDP1OPRM1
SCHEMBL15331702 0.81 LMNA (0.41) LMNARPA1OPRM1PKML3MBTL1
SCHEMBL15333179 0.81 SMN1; SMN2 (0.43) LMNAALDH1A1TDP1OPRM1PKM
SCHEMBL2562419 0.79 CNR2 (0.44) LMNACDK4CCND1CNR2CNR1

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