SCHEMBL7496493

SCHEMBL7496493

O=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 7/20 0.64
▸ MAPT P10636 5/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ ALDH1A1 P00352 5/20 0.52
▸ HTT P42858 2/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GMNN O75496 1/20 0.50
▸ TTR P02766 1/20 0.50

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
SCHEMBL27683794 0.84 KCNMA1 (0.64) KCNMA1MAPTRAB9ANPC1ALDH1A1
SCHEMBL6454614 0.77 ALDH1A1 (0.81) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7253758 0.76 KCNMA1 (0.57) KCNMA1ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL7253753 0.76 KCNMA1 (0.57) KCNMA1ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL18275000 0.76 POLB (0.58) KCNMA1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7157788 0.76 CRHBP (0.67) KCNMA1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1138444 0.75 KCNMA1 (0.56) KCNMA1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL249599 0.75 KCNMA1 (0.56) KCNMA1MAPTSMN1; SMN2HTTMEN1
SCHEMBL6819265 0.74 CXCR2 (0.61) KCNMA1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5226740 0.74 KCNMA1 (0.67) KCNMA1MAPTRAB9ASMN1; SMN2NPC1

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
Send feedback