SCHEMBL7361382

SCHEMBL7361382

O=[N+]([O-])c1cc(Br)ccc1NCP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
HCAR3 P49019 5/20 0.44
SERPINE1 P05121 1/20 0.41
PRSS1 P07477 4/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7361776 0.84 MAPT (0.50) PKMMAPK1RAB9AKDM4EHCAR3
SCHEMBL7355699 0.82 KAT2B (0.58) PKMMAPK1RAB9AHCAR3ALDH1A1
SCHEMBL7351297 0.82 ALDH1A1 (0.57) PKMRAB9AALDH1A1NPC1MAPT
SCHEMBL7349273 0.82 KCNMA1 (0.50) PKMMAPK1RAB9AHCAR3SERPINE1
SCHEMBL7354885 0.79 KMT2A (0.58) PKMMAPK1RAB9ASERPINE1ALDH1A1
SCHEMBL420259 0.79 ALDH1A1 (0.62) PKMMAPK1RAB9AKDM4EHCAR3
SCHEMBL29670495 0.79 ALDH1A1 (0.62) PKMMAPK1RAB9AKDM4EHCAR3
SCHEMBL26324521 0.79 HCAR3 (0.63) PKMMAPK1RAB9AKDM4EHCAR3
SCHEMBL594213 0.78 HCAR3 (0.61) PKMMAPK1RAB9AKDM4EHCAR3
SCHEMBL16423449 0.78 ALDH1A1 (0.60) PKMMAPK1RAB9AKDM4EABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
CN-1038840-C para-dinitrogen naphthalene derivative, its preparation method and its medical use SCHERING AG (DE) 1998-06-24 CN disclosed
EP-0565683-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-10-20 EP disclosed
CN-1072929-A Para-dinitronaphthalene derivative, preparation method and medical application thereof SCHERING AG (DE) 1993-06-09 CN disclosed
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed