SCHEMBL23062734

SCHEMBL23062734

Nc1ccc(C(=O)NN=Cc2ccccn2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.79
▸ NPC1 O15118 8/20 0.79
▸ KMT2A Q03164 5/20 0.79
▸ SMN1; SMN2 Q16637 5/20 0.79
▸ LMNA P02545 4/20 0.79
▸ MEN1 O00255 4/20 0.79
▸ MAPT P10636 5/20 0.76
▸ AGTR1 P30556 4/20 0.76
▸ OPRK1 P41145 4/20 0.76
▸ ALDH1A1 P00352 2/20 0.76
▸ ASF1A Q9Y294 1/20 0.70
▸ KDM4E B2RXH2 8/20 0.69
▸ POLB P06746 2/20 0.67
▸ GAA P10253 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ CYP1A2 P05177 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63

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
SCHEMBL13906018 1.00 RAB9A (0.79) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL13906014 0.88 RAB9A (1.00) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL3067021 0.88 RAB9A (1.00) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL13906013 0.87 RAB9A (0.81) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL12746295 0.86 RAB9A (1.00) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL10804555 0.86 RAB9A (0.86) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL15127222 0.86 RAB9A (0.86) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL13826736 0.86 RAB9A (1.00) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL29785652 0.86 RAB9A (1.00) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL30762094 0.86 RAB9A (1.00) RAB9ANPC1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3789761-B1 COLORIMETRIC DETECTOR FUND IMDEA NANOCIENCIA (ES) 2024-03-20 — — EP disclosed
US-20220373525-A1 COLORIMETRIC DETECTOR FUNDACIÓN IMDEA NANOCIENCIA (ES) 2022-11-24 — — US disclosed
WO-2021043982-A1 COLORIMETRIC DETECTOR FUNDACIÓN IMDEA NANOCIENCIA (ES) 2021-03-11 — — WO disclosed
EP-3789761-A1 COLORIMETRIC DETECTOR Fundación Imdea Nanociencia (ES) 2021-03-10 — — EP disclosed
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