SCHEMBL18740673

SCHEMBL18740673

C=Nc1cccc(C(=O)O)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ CASP6 P55212 1/20 0.55
▸ MMP2 P08253 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.41
▸ NAPRT Q6XQN6 2/20 0.40
▸ CCNE2 O96020 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ IDE P14735 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ NR4A3 Q92570 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MAPT P10636 2/20 0.38

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
SCHEMBL4363322 0.82 G6PD (0.57) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL7757318 0.79 ALDH1A1 (0.56) MMP2ALDH1A1ALOX15HSD17B10NAPRT
SCHEMBL526919 0.79 G6PD (0.74) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL11147524 0.78 ALDH1A1 (0.52) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL28281319 0.77 G6PD (0.71) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL30806223 0.77 G6PD (0.71) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL28500431 0.77 G6PD (0.50) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL18740672 0.73 MMP2 (0.55) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL30797265 0.73 G6PD (0.65) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL9851131 0.73 G6PD (0.65) G6PDCASP7CASP6MMP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362448-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA Inventiva (FR) 2018-08-22 — — EP claimed
WO-2017064277-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2017-04-20 — — WO claimed
EP-3362448-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA Inventiva (FR) 2018-08-22 — — EP disclosed
WO-2017064277-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2017-04-20 — — WO disclosed
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