SCHEMBL22904236

SCHEMBL22904236

O=C1NC(=O)[C@@H]2CN(c3ccc(Br)cc3)C[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
MMP13 P45452 1/20 0.37
HSD17B10 Q99714 2/20 0.36
AKR1C3 P42330 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 4/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 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
SCHEMBL22904384 0.81 DDB1 (0.43) HSD17B10POLBNPSR1MEN1KMT2A
SCHEMBL22904243 0.81 NOTUM (0.42) ACHEMGLLPOLBHPGDNPSR1
SCHEMBL22904387 0.81 BPTF (0.50) CYP3A4CYP2C9CYP2C19CYP2D6MEN1
SCHEMBL22904475 0.79 TRIM24 (0.50) ACHENPSR1MEN1KMT2AMAPK1
SCHEMBL22904481 0.76 GPR119 (0.43) AKR1C3POLBMEN1ALDH1A1
SCHEMBL22904386 0.76 CHRNA7 (0.42) HSP90AA1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL22904388 0.75 LTA4H (0.51) MGLLMMP13HPGDNPSR1LMNA
SCHEMBL22904474 0.74 LIPE (0.46) POLB
SCHEMBL22904247 0.73 ALDH1A1 (0.51) MMP13LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL31465552 0.70 KDM1A (0.40) FAAHMGLLAKR1C3KMT2AALOX15

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed