SCHEMBL27043147

SCHEMBL27043147

C=C(C)C(Cc1c[nH]c2ccccc12)NC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.56
▸ HTR2A P28223 3/20 0.54
▸ HTR1A P08908 2/20 0.54
▸ ADRB1 P08588 1/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ HTR1D P28221 1/20 0.54
▸ HTR1B P28222 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ HTR1E P28566 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ HTR6 P50406 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ APAF1 O14727 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RECQL P46063 1/20 0.52

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
SCHEMBL25802646 0.86 KMT2A (0.52) ALOX15HTR2AHTR1AADRB1ADRA2A
SCHEMBL13233981 0.86 ALOX15 (0.63) ALOX15MAPTKDM4EAPAF1POLB
SCHEMBL12950374 0.86 ALOX15 (0.63) ALOX15MAPTKDM4EAPAF1POLB
SCHEMBL16656706 0.86 ALOX15 (0.63) ALOX15MAPTKDM4EAPAF1POLB
SCHEMBL23434883 0.84 ALOX15 (0.52) ALOX15HTR2AHTR1AADRB1ADRA2A
Abrine (L) SCHEMBL18777 0.83 ALOX15 (0.70) ALOX15MAPTKDM4EAPAF1POLB
Abrine (L) SCHEMBL29585648 0.83 ALOX15 (0.70) ALOX15MAPTKDM4EAPAF1POLB
Abrine SCHEMBL161767 0.83 ALOX15 (0.70) ALOX15MAPTKDM4EAPAF1POLB
Abrine SCHEMBL29404678 0.83 ALOX15 (0.70) ALOX15MAPTKDM4EAPAF1POLB
Abrine SCHEMBL18778 0.83 ALOX15 (0.70) ALOX15MAPTKDM4EAPAF1POLB

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-4310093-A1 AMINO ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR TREATING HEPATITIS, COMPRISING SAME Prazertherapeutics Inc. (KR) 2024-01-24 — — EP disclosed
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