SCHEMBL30576102

SCHEMBL30576102

O=C(Nc1cc(-c2ccnc(N3CCC(O)CC3)c2)ccn1)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTBP1 P26599 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ SMO Q99835 2/20 0.46
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ WDR5 P61964 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ MALT1 Q9UDY8 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ ACVRL1 P37023 1/20 0.43

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
SCHEMBL30576030 0.88 RXRA (0.49) RXRATP53GSK3BRAB9ANPC1
SCHEMBL30576093 0.83 RXRA (0.46) RXRAEGFRGSK3B
SCHEMBL30576180 0.80 POLB (0.47) RXRASMN1; SMN2GSK3BRAB9ANPC1
SCHEMBL30576073 0.79 RAB9A (0.56) RXRASMN1; SMN2EGFRGSK3BRAB9A
SCHEMBL30576091 0.78 BRAF (0.53) RXRAKMT2AEGFRGSK3BRAB9A
SCHEMBL30576126 0.77 MAPT (0.48) RXRASMN1; SMN2RAB9AALDH1A1
SCHEMBL30894579 0.76 RXRA (0.80) RXRAKMT2ASMN1; SMN2TP53EGFR
SCHEMBL30576056 0.76 F2 (0.49) RXRAMEN1KMT2ATP53CCNA2
SCHEMBL30576138 0.76 NPC1 (0.51) MEN1KMT2ASMN1; SMN2TP53CCNA2
SCHEMBL30643224 0.74 CCNA2 (0.59) LMNASMN1; SMN2TP53GAATSHR

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-116836153-B CDK9-Cyclin T1 protein interaction inhibitor and application thereof 厦门大学 2026-05-19 — — CN disclosed
CN-116836153-A CDK9-Cyclin T1 protein interaction inhibitor and application thereof 厦门大学 2023-10-03 — — CN disclosed
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