SCHEMBL25513989

SCHEMBL25513989

C=C/C(=N\C)c1ccc(CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 7/20 0.42
PLK1 P53350 1/20 0.41
THRA P10827 6/20 0.40
CYP2C9 P11712 1/20 0.39
PLAU P00749 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
TP53 P04637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL24201876 0.78 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2PLK1CYP2C9PLAU
SCHEMBL20470769 0.77 AKT1 (0.46) ALDH1A1SMN1; SMN2CYP2C9MEN1KMT2A
SCHEMBL9722329 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2THRBPLK1THRA
SCHEMBL18868883 0.74 HDAC1 (0.41) ALDH1A1THRBTHRAMEN1KMT2A
SCHEMBL4899025 0.73 THRB (0.72) ALDH1A1SMN1; SMN2THRBPLK1THRA
SCHEMBL19750705 0.72 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2PLK1CYP2C9PLAU
SCHEMBL20713868 0.71 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2PLK1PLAULPL
SCHEMBL8383927 0.71 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PLK1CYP2C9PLAU
SCHEMBL21176949 0.71 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2THRBPLK1THRA
SCHEMBL11381140 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2PLK1CYP2C9PLAU

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
EP-4186529-A1 IMPROVED ANTIBODY-PAYLOAD CONJUGATES (APCS) PREPARED BY SITE-SPECIFIC CONJUGATION UTILIZING GENETIC CODE EXPANSION Veraxa Biotech GmbH (DE) 2023-05-31 EP disclosed