SCHEMBL27367949

SCHEMBL27367949

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(C)c(OC)ccc3nc2-1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.81
▸ MEN1 O00255 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ ALDH1A1 P00352 4/20 0.71
▸ GLA P06280 3/20 0.71
▸ RECQL P46063 2/20 0.71
▸ TDP1 Q9NUW8 2/20 0.71
▸ KDM4E B2RXH2 4/20 0.70
▸ RAB9A P51151 2/20 0.70
▸ BLM P54132 2/20 0.70
▸ POLB P06746 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ CYP3A4 P08684 2/20 0.68
▸ HBB P68871 2/20 0.68
▸ CASP1 P29466 1/20 0.68
▸ CASP7 P55210 1/20 0.68
▸ TP53 P04637 2/20 0.68
▸ HPGD P15428 2/20 0.68
▸ STAT6 P42226 1/20 0.68

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
SCHEMBL8484231 0.91 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27595211 0.91 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7262467 0.91 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8483239 0.90 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4272312 0.90 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1004508 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29994151 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27827045 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28751378 0.89 TOP1 (0.74) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18251452 0.89 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1

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
WO-2024073626-A2 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2024-04-04 — — WO disclosed
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