SCHEMBL29051866

SCHEMBL29051866

Nc1cc(OC(=O)c2ccc(C(=O)O)cc2)c(N)c(N)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ POLA1 P09884 1/20 0.40
▸ ANTXR2 P58335 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37

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
SCHEMBL31536329 0.78 SMN1; SMN2 (0.47) TSHRPOLBTP53ESR1ESR2
SCHEMBL3072190 0.75 POLB (0.46) TSHRPOLBPOLA1ANTXR2TP53
SCHEMBL15195274 0.74 KDM4E (0.33) TSHRSMN1; SMN2KDM4EGAA
SCHEMBL11193516 0.73 TSHR (0.67) TSHRPOLBPOLA1ANTXR2TP53
SCHEMBL10782892 0.72 MAPT (0.62) TSHRTP53ESR1ESR2MAPT
SCHEMBL11797079 0.71 KMT2A (0.47) TSHRPOLBESR1ESR2MAPT
SCHEMBL28260589 0.71 SMN1; SMN2 (0.41) TSHRTP53ESR1ESR2MAPT
SCHEMBL11275036 0.70 ESR1 (0.50) TSHRPOLBPOLA1ANTXR2TP53
SCHEMBL10784196 0.70 ESR1 (0.63) TSHRPOLBPOLA1ANTXR2TP53
SCHEMBL1816359 0.69 ALDH1A1 (0.50) TSHRPOLBTP53ALDH1A1MAPT

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-116333493-A Modified low-dielectric PI film suitable for high frequency and high speed and preparation method thereof 深圳力越新材料有限公司 2023-06-27 — — CN disclosed
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