SCHEMBL9716912

SCHEMBL9716912

NC(=O)C[n+]1ccc(-c2cc[n+](CC(N)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RCE1 Q9Y256 1/20 0.43
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
NR2F2 P24468 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL28360789 0.88 PABPC1 (0.42) MEN1KMT2ARCE1KDM4EAPOBEC3A
SCHEMBL18774372 0.82 MEN1 (0.44) MEN1KMT2ARCE1KDM4EALDH1A1
Iodide SCHEMBL11239592 0.80 SMN1; SMN2 (0.42) MEN1KMT2ARCE1KDM4EALDH1A1
SCHEMBL14621784 0.79 KMT2A (0.50) MEN1KMT2ARCE1ALDH1A1RAB9A
SCHEMBL11227570 0.78 KDM4E (0.46) MEN1KMT2ARCE1KDM4EALDH1A1
SCHEMBL9332702 0.77 MEN1 (0.41) MEN1KMT2ARCE1KDM4EALDH1A1
SCHEMBL9332695 0.77 MEN1 (0.38) MEN1KMT2ARCE1KDM4EALDH1A1
SCHEMBL10595348 0.76 SMN1; SMN2 (0.40) MEN1KMT2ARCE1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2864557 0.76 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL5562270 0.75 KMT2A (0.50) MEN1KMT2AKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260611-B1 PROCESS FOR THE REALIZATION OF ENZYMATIC OXIDATIONS BASF Aktiengesellschaft (DE) 1992-01-08 EP claimed
US-4923811-A Carrying out enzymatic oxidations BASF AKTIENGESELLSCHAFT (DE) 1990-05-08 US disclosed