SCHEMBL11471648

SCHEMBL11471648

O=C(Nc1ccccc1-n1ccnc1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CYP3A4 P08684 4/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ TSHR P16473 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ATR Q13535 1/20 0.49
▸ CD38 P28907 1/20 0.49
▸ IDO1 P14902 1/20 0.49
▸ LMNA P02545 1/20 0.48

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
SCHEMBL11464771 0.88 CYP3A4 (0.56) KMT2AMEN1CYP3A4CYP1A2CYP2D6
SCHEMBL11469457 0.87 CYP3A4 (0.67) KMT2AMEN1CYP3A4HPGDTSHR
SCHEMBL11464531 0.87 CYP3A4 (0.55) KMT2AMEN1NPSR1TDP1CYP3A4
SCHEMBL11461786 0.87 MEN1 (0.61) KMT2AMEN1NPSR1CYP3A4CYP1A2
SCHEMBL11469285 0.87 POLB (0.57) KMT2AMEN1NPSR1TDP1CYP3A4
SCHEMBL11463533 0.86 TSHR (0.59) KMT2AMEN1NPSR1TDP1CYP3A4
SCHEMBL7303219 0.85 LMNA (0.66) KMT2AMEN1CYP3A4ALDH1A1MAPT
SCHEMBL11539010 0.85 KMT2A (0.67) KMT2AMEN1CYP3A4CYP1A2CYP2D6
SCHEMBL11472571 0.84 F10 (0.60) KMT2AMEN1TDP1CYP3A4CD38
SCHEMBL11464515 0.83 CYP2D6 (0.57) KMT2AMEN1CYP3A4CYP2D6CYP2C9

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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