SCHEMBL5662987

SCHEMBL5662987

COC(=O)c1sccc1OC(=O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 12/20 0.51
CXCR1 P25024 11/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 1/20 0.45
PTPN1 P18031 1/20 0.41

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
SCHEMBL5658349 0.81 CXCR2 (0.73) CXCR2CXCR1ALDH1A1NPC1RAB9A
SCHEMBL5658045 0.79 CXCR2 (0.59) CXCR2CXCR1KMT2AMEN1LMNA
SCHEMBL5661096 0.79 CXCR2 (0.67) CXCR2CXCR1SMN1; SMN2NPC1RAB9A
SCHEMBL5659069 0.78 CXCR2 (0.59) CXCR2CXCR1ALDH1A1NPC1RAB9A
SCHEMBL5658556 0.77 NPC1 (0.52) CXCR2CXCR1KMT2AMEN1SMN1; SMN2
SCHEMBL5658828 0.77 CXCR1 (0.51) CXCR2CXCR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL5656795 0.76 CXCR2 (0.76) CXCR2CXCR1KMT2AMEN1SMN1; SMN2
SCHEMBL5656391 0.76 CXCR1 (0.75) CXCR2CXCR1KMT2AMEN1ALDH1A1
SCHEMBL5659634 0.75 CXCR1 (0.58) CXCR2CXCR1ALDH1A1NPC1RAB9A
SCHEMBL5656328 0.74 P4HTM (0.57) CXCR2CXCR1ALDH1A1NPC1RAB9A

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-7176310-B1 Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents UCB SA (GB) 2007-02-13 US disclosed