SCHEMBL28732547

SCHEMBL28732547

Cc1ccc2c(c1)c(C(F)(F)F)nc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ GPR3 P46089 1/20 0.46
▸ MAOA P21397 1/20 0.44
▸ ELANE P08246 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ NQO2 P16083 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ DCTPP1 Q9H773 1/20 0.41
▸ GAA P10253 6/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41

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
SCHEMBL28732557 0.89 LMNA (0.54) LMNAPOLBHTTNCOA1SMN1; SMN2
SCHEMBL28199808 0.82 GAA (0.50) GPR3ELANEBACE1DCTPP1GAA
SCHEMBL28732540 0.81 CCNE2 (0.48) BACE1DCTPP1GAACCNE2CDK4
SCHEMBL28732545 0.81 MAOA (0.44) LMNAPOLBHTTSMN1; SMN2GPR3
SCHEMBL28732550 0.80 LMNA (0.49) LMNAPOLBHTTNCOA1SMN1; SMN2
SCHEMBL28939150 0.79 LMNA (0.45) LMNAPOLBHTTNCOA1SMN1; SMN2
SCHEMBL28080769 0.78 KDM4E (0.45) LMNAPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL3259024 0.78 GPR3 (0.70) LMNAPOLBHTTSMN1; SMN2GPR3
SCHEMBL28732552 0.77 ACP1 (0.43) LMNAPOLBHTTNCOA1SMN1; SMN2
SCHEMBL31414195 0.77 GPR3 (0.42) LMNAGPR3MAOAELANENQO2

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
CN-114182273-A Synthesis method of trifluoromethyl phenanthridine compound 温州大学 2022-03-15 — — CN disclosed
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