SCHEMBL11869889

SCHEMBL11869889

O=[N+]([O-])c1cc(Cl)cc2c1ncc1nnnn12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ CHUK O15111 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CUL4A Q13619 1/20 0.31
▸ VCAM1 P19320 1/20 0.31

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
SCHEMBL11872050 0.81 PDE10A (0.44) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL11866099 0.81 ALDH1A1 (0.35) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL11867676 0.80 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C19MAPK1
SCHEMBL10398537 0.71 MAPK1 (0.35) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3286185 0.71 MAPT (0.50) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL11868525 0.66 CHEK1 (0.58) ALDH1A1LMNAMAPTCYP1A2CYP2C19
SCHEMBL6273996 0.63 MAPT (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3146522 0.62 GPR35 (0.44) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL29445407 0.61 MAPK1 (0.44) L3MBTL1ALDH1A1CHUKPIM3MAPK1
SCHEMBL113455 0.61 MAPK1 (0.44) L3MBTL1ALDH1A1CHUKPIM3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3987196-A FUNGISTATS ELI LILLY AND COMPANY (US) 1976-10-19 — — US disclosed
Send feedback