SCHEMBL29975767

SCHEMBL29975767

Nc1nc(O)c2ncn(C[C@@H](O)[C@H](N)C(=O)O)c2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
AHCY P23526 2/20 0.40
CYP2C19 P33261 2/20 0.40
HDAC6 Q9UBN7 6/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC4 P56524 1/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
SLC29A1 Q99808 1/20 0.39
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 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
SCHEMBL21853761 1.00 ALDH1A1 (0.44) ALDH1A1CCNE1CDK2AHCYCYP2C19
SCHEMBL21853756 1.00 ALDH1A1 (0.44) ALDH1A1CCNE1CDK2AHCYCYP2C19
SCHEMBL7271581 0.86 CCNE1 (0.44) ALDH1A1CCNE1CDK2CYP2C19HDAC6
SCHEMBL7271567 0.86 CCNE1 (0.44) ALDH1A1CCNE1CDK2CYP2C19HDAC6
SCHEMBL25875455 0.73 CYP2C19 (0.50) CCNE1CDK2CYP2C19CDK1CCNB1
SCHEMBL17860490 0.72 CCNE1 (0.71) CCNE1CDK2CYP2C19CDK1CCNB1
SCHEMBL7272071 0.72 CCNE1 (0.43) ALDH1A1CCNE1CDK2CYP2C19HDAC6
SCHEMBL7272082 0.72 CCNE1 (0.43) ALDH1A1CCNE1CDK2CYP2C19HDAC6
Omaciclovir SCHEMBL14569460 0.72 CCNE1 (0.43) ALDH1A1CCNE1CDK2AHCYCYP2C19
SCHEMBL20577001 0.72 CCNE1 (0.45) CCNE1CDK2AHCYCYP2C19HDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630795-B1 ENGINEERED ALDOLASE POLYPEPTIDES AND USES THEREOF ENZYMASTER NINGBO BIO ENG CO LTD (CN) 2023-07-26 EP disclosed
CN-110869383-B Engineered polypeptides and their use in the synthesis of beta-hydroxy-alpha-amino acids 宁波酶赛生物工程有限公司 2023-06-27 CN disclosed
CN-110914288-B Engineered aldolase polypeptides and uses thereof 宁波酶赛生物工程有限公司 2023-05-05 CN disclosed
US-11512303-B2 Engineered polypeptides and their applications in the synthesis of beta-hydroxy-alpha-amino acids ENZYMASTER (NINGBO) BIO-ENGINEERING CO., LTD. (CN) 2022-11-29 US disclosed
EP-3630798-B1 ENGINEERED ALDOLASE POLYPEPTIDES AND THEIR APPLICATIONS IN SYNTHESIS OF BETA-HYDROXY-ALPHA-AMINO ACIDS ENZYMASTER NINGBO BIO ENG CO LTD (CN) 2022-11-23 EP disclosed