SCHEMBL11061130

SCHEMBL11061130

O=C1C2CCCN2c2ncccc2N1Cc1ccncc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.79
▸ MEN1 O00255 1/20 0.79
▸ ALDH1A1 P00352 8/20 0.43
▸ KDM4E B2RXH2 7/20 0.43
▸ HPGD P15428 3/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ MAPK10 P53779 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL11065237 0.92 MEN1 (0.81) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL11061243 0.86 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL11055326 0.79 MEN1 (0.66) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL11056923 0.78 KMT2A (0.64) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL11056954 0.76 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL11057388 0.68 KMT2A (0.54) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5738724 0.68 KDM4E (0.60) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL5739701 0.66 ADORA2A (0.60) KMT2AMEN1ALDH1A1HPGD
SCHEMBL8970292 0.66 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8970290 0.66 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2

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-4446323-A Tetra- and hexa-hydropyrrolo(1,2-a)quinoxaline and azaquinoxaline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1984-05-01 — — US claimed
US-4446323-A Tetra- and hexa-hydropyrrolo(1,2-a)quinoxaline and azaquinoxaline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1984-05-01 — — US disclosed
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