SCHEMBL7499740

SCHEMBL7499740

O=C(O)c1cccc([N+](=O)[O-])c1Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
CTSV O60911 7/20 0.57
CTSL P07711 7/20 0.57
AR P10275 2/20 0.55
SIRT2 Q8IXJ6 1/20 0.53
MAPT P10636 4/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL2293244 0.83 CXCR2 (0.59) MEN1KMT2ACTSVCTSLMAPT
SCHEMBL16862294 0.82 MAPT (0.56) MEN1KMT2ACTSVCTSLMAPT
SCHEMBL3177723 0.81 MEN1 (0.50) MEN1KMT2ACTSVCTSLAR
SCHEMBL16862346 0.80 KMT2A (0.56) MEN1KMT2ACTSVCTSLMAPT
SCHEMBL3919788 0.79 MAPK1 (0.63) MEN1KMT2ACTSVCTSLAR
SCHEMBL10651184 0.78 MAPT (0.51) MEN1KMT2ACTSVCTSLAR
SCHEMBL16737201 0.78 TSHR (0.50) MEN1KMT2AMAPTRAB9A
SCHEMBL12086509 0.78 TSHR (0.50) MEN1KMT2ACTSVCTSLMAPT
SCHEMBL16737117 0.78 MAPT (0.51) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL2443092 0.78 TSHR (0.50) MEN1KMT2ACTSVCTSLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679641-B1 SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EACH HAVING TRICYCLIC HETERO RING EISAI CO LTD (JP) 2002-10-02 EP disclosed
US-5854274-A Tricyclic heterocyclic sulfonamide and sulfonic ester derivatives EISAI CO., LTD. (JP) 1998-12-29 US disclosed
US-5846969-A Tricyclic heterocyclic sulfonamide and sulfonic ester derivatives EISAI CO., LTD. (JP) 1998-12-08 US disclosed
US-5834462-A ANTITUMOR AGENTS; ANTICARCINOGENIC AGENTS PARTICULARLY FOR NASOPHARYNGEL, PULMONARY, INTESTINAL, MAMMARY, UTERUS, GASTRIC, OVARIAN OR LIVER CANCER AND ALSO LEUKEMIA EISAI CO., LTD. (JP) 1998-11-10 US disclosed
EP-0679641-A1 SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EACH HAVING TRICYCLIC HETERO RING Eisai Co., Ltd. (JP) 1995-11-02 EP disclosed