SCHEMBL28441204

SCHEMBL28441204

CCc1ccc(C(=O)O)c(I)c1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ KCNK2 O95069 1/20 0.43
▸ KCNK10 P57789 1/20 0.43
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ACLY P53396 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ERO1A Q96HE7 1/20 0.41
▸ OGG1 O15527 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ HDAC3 O15379 1/20 0.40

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
SCHEMBL16508381 0.72 KMT2A (0.49) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL4271628 0.69 TPMT (0.47) KMT2AMEN1MAPTACLYTDP1
SCHEMBL1307525 0.68 DHODH (0.74) KMT2AMEN1KCNK2KCNK10MAPT
SCHEMBL3712805 0.68 PTPN11 (0.66) KMT2AMEN1POLBMAPTERO1A
SCHEMBL28445001 0.68 HSP90AA1 (0.50) KMT2AMEN1MAPTSMN1; SMN2HDAC2
SCHEMBL1491944 0.67 ALDH1A1 (0.54) KMT2AMEN1MAPTSMN1; SMN2HDAC1
SCHEMBL17166275 0.66 AKR1C2 (0.73) KMT2AMEN1POLBKCNK2KCNK10
SCHEMBL3711733 0.65 DHODH (0.57) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL23243427 0.65 KDM4E (0.55) KMT2AMEN1POLBMAPTCYP1A2
SCHEMBL31125276 0.65 KDM4E (0.55) KMT2AMEN1POLBMAPTCYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947984-B Preparation method of pranlukast 烟台万润药业有限公司 2020-07-07 — — CN claimed
CN-108947984-B Preparation method of pranlukast 烟台万润药业有限公司 2020-07-07 — — CN disclosed
CN-108947984-B Preparation method of pranlukast 烟台万润药业有限公司 2020-07-07 — — CN disclosed
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