SCHEMBL14510147

SCHEMBL14510147

N=C(Nc1ccc(Br)cc1)SCc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.57
▸ NTRK2 Q16620 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ KLK1 P06870 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL14510137 0.90 SMN1; SMN2 (0.56) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL13930771 0.79 NPC1 (0.55) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL14510136 0.74 SMN1; SMN2 (0.59) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3079520 0.69 SMN1; SMN2 (0.83) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3065316 0.69 SMN1; SMN2 (0.69) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL29822827 0.68 GAA (0.75) NTRK1NTRK2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL483337 0.68 GAA (0.75) NTRK1NTRK2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12486648 0.68 MPO (0.78) ALDH1A1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL14510150 0.68 RAB9A (0.52) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL30933644 0.68 MTOR (0.70) NTRK1NTRK2RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211373-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-01 — — US disclosed
US-7211373-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-01 — — US disclosed
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