SCHEMBL7896220

SCHEMBL7896220

O=C(Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.71
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ RAB9A P51151 2/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ TSHR P16473 3/20 0.59
▸ XBP1 P17861 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ LMNA P02545 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL7893043 0.92 KMT2A (0.73) MAPTMEN1KMT2ARAB9AALOX15
SCHEMBL7890537 0.89 RXFP1 (0.70) MAPTMEN1KMT2ARAB9AALOX15
SCHEMBL7885305 0.84 KMT2A (0.59) MAPTMEN1KMT2ARAB9AALOX15
SCHEMBL7894969 0.83 TSHR (0.66) MAPTMEN1KMT2ARAB9ATSHR
SCHEMBL7892443 0.82 TSHR (0.67) MAPTMEN1KMT2ARAB9AALOX15
SCHEMBL7894813 0.79 MEN1 (0.52) MAPTMEN1KMT2ARAB9AALOX15
SCHEMBL7885318 0.77 TSHR (0.76) MEN1KMT2AALOX15TSHRCYP1A2
SCHEMBL13799881 0.76 ALOX15 (1.00) MAPTMEN1KMT2ARAB9AALOX15
SCHEMBL31703144 0.76 ALOX15 (1.00) MAPTMEN1KMT2ARAB9AALOX15
Hydrochloric Acid SCHEMBL28917129 0.76 ENPP1 (0.58) MAPTMEN1KMT2ARAB9AALOX15

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
Send feedback