SCHEMBL26077071

SCHEMBL26077071

NN1C(=O)c2ccccc2CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.51
SLC6A4 P31645 1/20 0.51
CES1 P23141 1/20 0.50
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.41
CASP6 P55212 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 2/20 0.41
CYP2A6 P11509 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
SCHEMBL9852647 0.85 MAOA (0.50) CES1ALDH1A1KDM4ECYP3A4KMT2A
SCHEMBL11677341 0.80 HTR2A (0.50) HRH1SLC6A4ALDH1A1KDM4ECYP3A4
SCHEMBL30100746 0.79 POLB (0.51) CES1KMT2ANPC1RAB9AMEN1
SCHEMBL3389475 0.79 POLB (0.51) CES1KMT2ANPC1RAB9AMEN1
SCHEMBL23569664 0.78 HRH1 (0.51) HRH1SLC6A4CES1ALDH1A1KDM4E
SCHEMBL12059599 0.78 NR1H2 (0.59) HRH1SLC6A4CES1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11818641 0.78 HTR2A (0.48) HRH1SLC6A4ALDH1A1KDM4ECYP3A4
SCHEMBL12142340 0.74 HRH1 (0.51) HRH1SLC6A4CES1ALDH1A1KDM4E
SCHEMBL12043655 0.74 HRH1 (0.51) HRH1SLC6A4CES1ALDH1A1KDM4E
SCHEMBL31019547 0.73 BCAT2 (0.50) CES1ALDH1A1KMT2ANPC1RAB9A

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
WO-2023180484-A1 ANTIBODY-CONJUGATES FOR TARGETING OF TUMOURS EXPRESSING PTK7 SYNAFFIX B.V. (NL) 2023-09-28 WO disclosed
WO-2023180490-A1 ANTIBODY-CONJUGATES FOR TARGETING OF TUMOURS EXPRESSING NECTIN-4 SYNAFFIX B.V. (NL) 2023-09-28 WO disclosed