SCHEMBL28466622

SCHEMBL28466622

O=C(O)N1CCOc2cccc(Br)c2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.41
MCL1 Q07820 1/20 0.37
NOTUM Q6P988 1/20 0.37
ABHD6 Q9BV23 3/20 0.36
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3R2 O00459 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
PIK3R5 Q8WYR1 2/20 0.34
PIK3R3 Q92569 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
TRAP1 Q12931 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL3276399 0.80 UCHL1 (0.44) AHRABHD6SMN1; SMN2ALDH1A1
SCHEMBL3280126 0.77 RIPK1 (0.42) AHRNOTUMABHD6RIPK1RAB9A
SCHEMBL17957763 0.75 RIPK1 (0.54) AHRNOTUMKMT2ARIPK1PIK3CA
SCHEMBL29501124 0.75 RIPK1 (0.54) AHRNOTUMKMT2ARIPK1PIK3CA
SCHEMBL3276484 0.74 CYP2D6 (0.46) KMT2AHPGDALDH1A1
SCHEMBL20564523 0.74 ABHD6 (0.60) NOTUMABHD6KMT2AHPGDSMN1; SMN2
SCHEMBL4437645 0.71 ABHD6 (0.57) NOTUMABHD6TRAP1
SCHEMBL1550147 0.71 ABHD6 (0.60) NOTUMABHD6KMT2ASMN1; SMN2RAB9A
SCHEMBL15055636 0.71 RIPK1 (0.46) ABHD6KMT2ARIPK1PIK3CARAB9A
SCHEMBL3789225 0.71 RIPK1 (0.46) RIPK1PIK3CA

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
CN-107001279-B CXCR7 receptor modulators 爱杜西亚药品有限公司 2020-10-20 CN disclosed