SCHEMBL30417899

SCHEMBL30417899

O=c1[nH]nc(N2CCN(c3ccccc3)CC2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ ENPP1 P22413 1/20 0.52
▸ ROCK2 O75116 2/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ PARP1 P09874 5/20 0.49
▸ SMO Q99835 1/20 0.48
▸ ATM Q13315 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 1/20 0.44

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
SCHEMBL19951504 1.00 TSHR (0.63) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL19951493 0.88 LMNA (0.51) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL30418223 0.88 LMNA (0.51) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL13721430 0.84 PARP1 (0.53) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL13720770 0.84 HTR3A (0.53) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL831675 0.83 ENPP1 (0.53) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL29688141 0.83 ENPP1 (0.53) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL13720391 0.82 ALDH1A1 (0.60) LMNAALDH1A1HPGDENPP1ROCK2
SCHEMBL13720327 0.81 ENPP1 (0.55) TSHRLMNAALDH1A1HPGDENPP1
SCHEMBL5160196 0.80 LMNA (0.57) TSHRLMNAALDH1A1HPGDPARP1

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
EP-4419094-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS Edison Oncology (US) 2024-08-28 — — EP disclosed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 — — WO disclosed
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