SCHEMBL29976014

SCHEMBL29976014

c1ccc(N2CC[N+]3(CCCC3)CC2)nc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.97
POLB P06746 3/20 0.61
USP2 O75604 2/20 0.61
PLD1 Q13393 1/20 0.56
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47

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
SCHEMBL2541887 1.00 KDM4E (0.97) KDM4EPOLBUSP2PLD1ALDH1A1
Bromide SCHEMBL9446887 0.98 KDM4E (1.00) KDM4EPOLBUSP2PLD1ALDH1A1
Water SCHEMBL19434136 0.98 KDM4E (0.93) KDM4EPOLBUSP2PLD1ALDH1A1
SCHEMBL2543845 0.81 KDM4E (0.66) KDM4EPOLBUSP2PLD1ALDH1A1
SCHEMBL29462629 0.81 PLD1 (0.68) KDM4EPOLBUSP2PLD1ALDH1A1
SCHEMBL157489 0.81 PLD1 (0.68) KDM4EPOLBUSP2PLD1ALDH1A1
SCHEMBL18228078 0.81 PLD1 (0.68) KDM4EPOLBUSP2PLD1ALDH1A1
SCHEMBL230367 0.81 PLD1 (0.68) KDM4EPOLBUSP2PLD1ALDH1A1
SCHEMBL21353591 0.80
SCHEMBL29857922 0.80 PLD1 (0.73) KDM4EPOLBUSP2PLD1ALDH1A1

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-113636572-B High-yield Me-SSZ-98 type molecular sieve material, catalyst and application 昆明贵研催化剂有限责任公司 2022-11-29 CN disclosed