SCHEMBL27989266

SCHEMBL27989266

S=CC1Nc2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MAPT P10636 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.33
▸ BRD4 O60885 3/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL28768714 0.74 HTR5A (0.41) CREBBPBRPF1MEN1KMT2AMAPT
SCHEMBL1600166 0.74 CREBBP (0.40) CREBBPBRPF1MEN1KMT2AMAPT
SCHEMBL27759712 0.72 CREBBP (0.39) CREBBPBRPF1MEN1KMT2AMAPT
SCHEMBL27321647 0.70 CREBBP (0.38) CREBBPBRPF1MEN1KMT2AMAPT
SCHEMBL6422711 0.70 MEN1 (0.36) CREBBPBRPF1MEN1KMT2AMAPT
SCHEMBL3319641 0.69 CREBBP (0.39) CREBBPBRPF1MEN1KMT2AMAPT
SCHEMBL27322746 0.69 MEN1 (0.33) CREBBPMEN1KMT2AMAPTGAA
SCHEMBL17376745 0.67 CREBBP (0.42) CREBBPBRPF1MEN1KMT2AMAPT
SCHEMBL27520511 0.66 MEN1 (0.35) CREBBPBRPF1MEN1KMT2AMAPT
SCHEMBL13834469 0.65 KMT2A (0.68) MEN1KMT2AMAPTNPC1GAA

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
CN-105884693-A Parasiticidal Compositions Comprising Benzimidazole Derivatives, Methods And Uses Thereof 梅里亚有限公司 2016-08-24 — — CN disclosed
CN-104203928-A Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL IND LTD 2014-12-10 — — CN disclosed
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