SCHEMBL8539278

SCHEMBL8539278

N#CC(C#N)=Cc1ccc(F)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.55
▸ ALDH1A1 P00352 9/20 0.55
▸ MEN1 O00255 8/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ KDM4E B2RXH2 7/20 0.55
▸ LMNA P02545 5/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ TDP1 Q9NUW8 4/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ EGFR P00533 9/20 0.53
▸ CYP3A4 P08684 5/20 0.53
▸ HPGD P15428 5/20 0.53
▸ BLM P54132 5/20 0.53
▸ NFKB1 P19838 4/20 0.53
▸ PMP22 Q01453 4/20 0.53
▸ CYP2C9 P11712 4/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53

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
SCHEMBL15065094 0.86 MAPT (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4656320 0.83 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8539257 0.79 KMT2A (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17466932 0.73 MAPT (1.00) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9105604 0.73 VCP (0.51) KDM4ENPSR1TDP1NPC1RAB9A
SCHEMBL9105595 0.73 VCP (0.51) KDM4ENPSR1TDP1NPC1RAB9A
SCHEMBL11313166 0.72 ALDH1A1 (0.70) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9591757 0.72 MAPT (0.77) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3368837 0.72 ALDH1A1 (0.77) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11127611 0.72 VCP (0.50) KDM4ENPSR1TDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537949-B1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY CO ELI (GB) 1998-07-01 — — EP disclosed
US-5284868-A Naphthopyran derivatives; for autoimmune diseases, cancer ELI LILLY AND COMPANY (US) 1994-02-08 — — US disclosed
US-5281619-A Administering naphtho(1,2-B)pyran derivatives ELI LILLY AND COMPANY (US) 1994-01-25 — — US disclosed
EP-0537949-A1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY INDUSTRIES LIMITED (GB) 1993-04-21 — — EP disclosed
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