SCHEMBL30179158

SCHEMBL30179158

O=C(OCc1ccccc1)N1CCC(N2CC=C(c3ccc4[nH]c5nnc(-c6ccccc6O)cc5c4c3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 5/20 0.38
▸ ENPP2 Q13822 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ TYK2 P29597 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ KDR P35968 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TRPC3 Q13507 1/20 0.35
▸ TRPC7 Q9HCX4 1/20 0.35

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
SCHEMBL30178559 0.84 LNPEP (0.40) ENPP2SMN1; SMN2PARP1KDRPRMT5
SCHEMBL23580367 0.76 NAMPT (0.47) JAK1
SCHEMBL30178737 0.76 NAMPT (0.47) JAK1
SCHEMBL25624409 0.74 SMN1; SMN2 (0.38) GRIN2BENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL22776672 0.74 SMARCA2 (0.45) SMN1; SMN2JAK2CYP2C19
SCHEMBL30178663 0.71 TMEM97 (0.36) GRIN2BENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL25602819 0.71 TMEM97 (0.36) GRIN2BENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL30179045 0.71 TMEM97 (0.36) GRIN2BENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL30552545 0.71 PARP1 (0.44) PARP1KDR
SCHEMBL27040297 0.71 PARP1 (0.44) PARP1KDR

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
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 — — WO disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 — — WO disclosed
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