SCHEMBL30158617

SCHEMBL30158617

O=C(CC1CCC(=O)N1Cc1ccc(Cl)nc1)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ P2RX7 Q99572 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL30157641 0.86 SLC6A4 (0.48) SLC6A4SLC6A3HDAC1HDAC2ITGB1
SCHEMBL30157316 0.85 KMT2A (0.51) SLC6A4SLC6A3HDAC1HDAC2ITGB1
SCHEMBL30158432 0.82 KMT2A (0.43) HDAC1HDAC2KMT2AALDH1A1MEN1
SCHEMBL30157508 0.82 LMNA (0.40) HDAC1HDAC2P2RX7GAACYP3A4
SCHEMBL30158019 0.79 KMT2A (0.40) HDAC1HDAC2P2RX7GAACYP3A4
SCHEMBL30157849 0.78 SLC6A4 (0.43) SLC6A4SLC6A3KDM4EP2RX7GAA
SCHEMBL30157947 0.78 DRD4 (0.41) HDAC1HDAC2GAACYP3A4CYP2C19
SCHEMBL30158051 0.77 P2RX7 (0.50) SLC6A4SLC6A3ITGB1ITGA4P2RX7
SCHEMBL30158714 0.77 KMT2A (0.56) HDAC1HDAC2KDM4EP2RX7GAA
SCHEMBL30157967 0.74 P2RX7 (0.49) SLC6A4SLC6A3KDM4EP2RX7GAA

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
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
Send feedback