SCHEMBL11801624

SCHEMBL11801624

O=C(O)C(NC(=O)N1CCN(C(=O)N2CCCC2)C1=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ EPHX2 P34913 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RBP4 P02753 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 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
SCHEMBL11731680 0.99 KMT2A (0.47) KMT2AKDM4EMAPTHPGDNPSR1
SCHEMBL11733894 0.84 KMT2A (0.42) KMT2ALMNAATMMEN1RBP4
SCHEMBL11730787 0.84 KMT2A (0.42) KMT2ALMNAATMMEN1RBP4
SCHEMBL11731937 0.84 KMT2A (0.42) KMT2ALMNAGAAATMMEN1
SCHEMBL11728166 0.83 FPR2 (0.47) KMT2AKDM4EMAPTHPGDNPSR1
SCHEMBL11734810 0.83 KMT2A (0.41) KMT2AMAPTHPGDLMNAATM
SCHEMBL11733493 0.82 KMT2A (0.41) KMT2AKDM4ELMNAGAAATM
SCHEMBL11739896 0.82 KMT2A (0.41) KMT2AEPHX2LMNAGAAATM
SCHEMBL11732028 0.81 ATM (0.42) KMT2ALMNAATMMEN1RBP4
SCHEMBL11728167 0.81 KMT2A (0.43) KMT2ALMNAATMMEN1RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3983105-A Penicillins BAYER AKTIENGESELLSCHAFT (DT) 1976-09-28 — — US disclosed
US-3978056-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 — — US disclosed
US-3975375-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 — — US disclosed
US-3974142-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
US-3974141-A IMIDAZOLIDINYL-CARBAMIDOBACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
US-3972869-A Penicillins BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 — — US disclosed
US-3972870-A IMIDAZOLIDINYL-CARBAMIDO-BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 — — US disclosed
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