SCHEMBL11463533

SCHEMBL11463533

O=C(Nc1ccccc1-n1ccnc1)c1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ MAPT P10636 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ CYP3A4 P08684 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CD38 P28907 2/20 0.50
▸ HDAC1 Q13547 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ CASP3 P42574 1/20 0.47

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
SCHEMBL11471648 0.86 KMT2A (0.57) TSHRSMN1; SMN2MAPTNPSR1LMNA
SCHEMBL11472614 0.86 KMT2A (0.60) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL11471634 0.86 MEN1 (0.70) MEN1KMT2ACYP3A4L3MBTL1CYP1A2
SCHEMBL11469185 0.86 L3MBTL1 (0.68) TSHRSMN1; SMN2MAPTLMNAMEN1
SCHEMBL11480901 0.85 PTGS1 (0.60) TSHRNPSR1LMNAMEN1KMT2A
SCHEMBL11472439 0.83 KMT2A (0.63) TSHRSMN1; SMN2MAPTKDM4EMEN1
SCHEMBL11538930 0.82 MEN1 (0.76) MAPK1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL11464516 0.82 MAPT (0.62) SMN1; SMN2MAPTKDM4ELMNAMEN1
SCHEMBL11480861 0.81 MEN1 (0.57) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL11464771 0.80 CYP3A4 (0.56) MAPTLMNAMEN1KMT2ACYP3A4

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-4236015-A ANTIINFLAMMATORY AGENTS, IMMUNOSUPPRESSANTS, FUNGICIDES WESTWOOD PHARMACEUTICALS, INC. (US) 1980-11-25 — — US claimed
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