SCHEMBL28353252

SCHEMBL28353252

CCOC(=O)c1ccc(-c2cnn(CCOCc3ccccc3)c2)cc1-c1cnn(CCOCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.41
▸ NEK2 P51955 1/20 0.41
▸ KAT6A Q92794 1/20 0.40
▸ KAT5 Q92993 1/20 0.40
▸ KAT8 Q9H7Z6 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CREBBP Q92793 2/20 0.39
▸ GPR39 O43194 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 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
SCHEMBL17869122 0.85 F2RL3 (0.45) ALDH1A1TSHRCREBBPSMN1; SMN2MAPT
SCHEMBL4236522 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17869288 0.76 EGLN1 (0.47) CREBBPHSD17B10
SCHEMBL19434598 0.71 LMNA (0.42) KAT6AKAT5KAT8HPGDMEN1
SCHEMBL5108545 0.70 ALDH1A1 (0.40) MAPK1ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL25122887 0.70 EGLN1 (0.53) SMN1; SMN2NPC1RAB9ATP53
SCHEMBL21248208 0.69 SMN1; SMN2 (0.42) MAPK1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16415457 0.68 TSHR (0.48) MAPK1ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL20660562 0.68 SMN1; SMN2 (0.46) MAPK1ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL29220666 0.68 CRHBP (0.43) MAPK1ALDH1A1TSHRSMN1; SMN2NPC1

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
CN-107406451-B Pyrrolopyrimidines and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors 福马治疗股份有限公司 2019-12-17 — — CN disclosed
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