SCHEMBL9431287

SCHEMBL9431287

O=C(O)C=Cc1cccc(N2C(=O)C3=CCCCC3C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ KMT2A Q03164 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PLA2G10 O15496 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL9305975 0.73 PRMT1 (0.59) PRMT1NPC1KMT2ANPSR1PLA2G10
SCHEMBL9305974 0.73 PRMT1 (0.59) PRMT1NPC1KMT2ANPSR1PLA2G10
SCHEMBL7832036 0.70 PRMT1 (0.62) PRMT1NPC1KMT2ANPSR1PLA2G10
SCHEMBL7832034 0.70 PRMT1 (0.62) PRMT1NPC1KMT2ANPSR1PLA2G10
SCHEMBL8646877 0.69 PRMT1 (0.51) PRMT1NPC1KMT2ANPSR1PLA2G10
SCHEMBL7513087 0.66 KMT2A (0.36) NPC1KMT2AALDH1A1KDM4EHDAC4
SCHEMBL10414593 0.65 PRMT1 (0.71) PRMT1NPC1KMT2ANPSR1PLA2G10
SCHEMBL10414595 0.65 PRMT1 (0.71) PRMT1NPC1KMT2ANPSR1PLA2G10
SCHEMBL10416055 0.65 PRMT1 (0.61) PRMT1NPC1KMT2ANPSR1PLA2G10
SCHEMBL10416057 0.65 PRMT1 (0.61) PRMT1NPC1KMT2ANPSR1PLA2G10

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
US-5296451-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 — — US disclosed
Send feedback