SCHEMBL7894969

SCHEMBL7894969

O=C(Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O)NCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.66
▸ GLA P06280 1/20 0.63
▸ GAA P10253 2/20 0.62
▸ USP2 O75604 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ POLB P06746 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ MAPT P10636 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ ADRA1B P35368 1/20 0.52

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
SCHEMBL7885318 0.93 TSHR (0.76) TSHRGLAGAALMNAMEN1
SCHEMBL7892606 0.88 MEN1 (0.74) TSHRGLAGAASMN1; SMN2MEN1
SCHEMBL7894987 0.83 GAA (0.82) TSHRGAALMNAALDH1A1POLB
SCHEMBL7896220 0.83 MAPT (0.71) TSHRGAAUSP2LMNASMN1; SMN2
SCHEMBL7885173 0.81 GAA (0.59) TSHRGLAGAAUSP2LMNA
SCHEMBL10700300 0.81 ADRA1A (0.55) TSHRGLAUSP2LMNASMN1; SMN2
SCHEMBL15478270 0.77 TSHR (0.82) TSHRGLASMN1; SMN2MEN1KMT2A
SCHEMBL7893043 0.76 KMT2A (0.73) TSHRGAAUSP2SMN1; SMN2MEN1
SCHEMBL17767008 0.76 SMN1; SMN2 (0.81) GAASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL32664309 0.76 TSHR (0.66) TSHRGLAGAASMN1; SMN2MEN1

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-6180629-B1 INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION, INCLUDING PRECANCEROUS AND CANCEROUS LESIONS CELL PATHWAYS, INC. 2001-01-30 — — US disclosed
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