SCHEMBL25817002

SCHEMBL25817002

COc1cc(C(=O)N2CCN(C(C)=O)CC2)cc(C(=O)N2CCN(C(C)=O)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
GAA P10253 1/20 0.63
TSHR P16473 1/20 0.61
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL14883789 0.89 ALDH1A1 (0.59) ALDH1A1GAATSHRKDM4ETDP1
SCHEMBL26296156 0.84 ALDH1A1 (0.74) ALDH1A1PKML3MBTL1HPGD
SCHEMBL25817006 0.82 ALDH1A1 (0.67) ALDH1A1GAATSHRKDM4ETDP1
SCHEMBL25817005 0.82 SERPINE1 (0.52) ALDH1A1TSHRKDM4ETDP1SMN1; SMN2
SCHEMBL29944022 0.81 HPGD (0.67) ALDH1A1GAATSHRKDM4ETDP1
SCHEMBL14883834 0.80 ALDH1A1 (0.47) ALDH1A1GAATSHRKDM4ETDP1
SCHEMBL26838573 0.80 HPGD (0.65) ALDH1A1KDM4ETDP1PKMHPGD
SCHEMBL19997098 0.79 RAB9A (0.53) ALDH1A1GAATSHRKDM4ETDP1
SCHEMBL16026516 0.78 ALDH1A1 (0.61) ALDH1A1GAATSHRKDM4ETDP1
SCHEMBL12974650 0.78 ALDH1A1 (0.61) ALDH1A1GAATSHRKDM4ETDP1

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-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed