SCHEMBL29730026

SCHEMBL29730026

CC1CCN(c2ccc(-c3cnc(N)nc3N3OCCC3c3ccccc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 11/20 0.42
▸ TP53 P04637 2/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL29729934 0.91 DHFR (0.44) DHFR
SCHEMBL29730035 0.73 ADORA2A (0.40) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29729786 0.70 MAP4K1 (0.47) —
SCHEMBL29729734 0.70 PLK4 (0.48) —
SCHEMBL29730069 0.70 EGFR (0.47) —
SCHEMBL29729846 0.70 MAP4K1 (0.48) —
SCHEMBL29729851 0.69 SRC (0.54) —
SCHEMBL16701400 0.68 DHFR (0.47) DHFRTP53
SCHEMBL7708544 0.67 NOS1 (0.58) DHFRPIK3CAPIK3R1MTORLMNA
SCHEMBL29641359 0.67 STK3 (0.44) MAPK1

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-2022131741-A1 ISOXAZOLIDINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2022-06-23 — — WO disclosed
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