SCHEMBL25475175

SCHEMBL25475175

O=C(OCCS)c1ccc(-c2nnc[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ TSHR P16473 3/20 0.36
▸ ESR1 P03372 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ RNASEL Q05823 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 3/20 0.33

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
SCHEMBL25475166 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EPHLPP2CYP1A2CYP2C19
SCHEMBL997009 0.76 TDP1 (0.54) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL14576244 0.74 KDM4E (0.54) ALDH1A1KDM4ETSHRGAANPC1
SCHEMBL11349987 0.70 TDP1 (0.52) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL11358502 0.69 GAA (0.63) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL29083864 0.69 ESR1 (0.46) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL29083892 0.69 HPGD (0.53) ALDH1A1KDM4ETSHRESR1TDP1
SCHEMBL29083828 0.69 KMT2A (0.49) ALDH1A1KDM4ETSHRESR1TDP1
SCHEMBL22838188 0.69 TDP1 (0.53) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL25550796 0.69 ALDH1A1 (0.70) ALDH1A1KDM4ETSHRESR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 — — US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 — — US disclosed
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