SCHEMBL4001238

SCHEMBL4001238

CNC(=O)C(C)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 4/20 0.54
▸ FFAR1 O14842 2/20 0.54
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ STING1 Q86WV6 2/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CMA1 P23946 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ NR4A2 P43354 1/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ PBRM1 Q86U86 1/20 0.46

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
SCHEMBL27421440 0.86 GPR84 (0.53) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL27514167 0.83 GPR84 (0.61) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL1854970 0.83 KMT2A (0.50) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL368690 0.82 GPR84 (0.59) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL29885154 0.82 GPR84 (0.59) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL7563351 0.81 MMP9 (0.56) GPR84FFAR1KMT2ACYP2D6SLC6A2
SCHEMBL3996751 0.81 HPGD (0.51) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL3992783 0.81 GABRP (0.54) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL29800817 0.81 GPR84 (0.54) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL1327936 0.81 GPR84 (0.54) GPR84FFAR1HTR2AHTR2CHTR2B

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-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
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