SCHEMBL12869701

SCHEMBL12869701

O=C(OCc1ccccc1[N+](=O)[O-])C1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ HTT P42858 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ APP P05067 1/20 0.38

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
SCHEMBL29010884 0.80 MMP1 (0.44) ALDH1A1KMT2ATSHRELANEHTR2C
SCHEMBL16226094 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2AKDM4EMEN1
SCHEMBL29010885 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4ETSHRELANE
SCHEMBL3499943 0.79 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1KMT2AKDM4EMEN1
SCHEMBL7978485 0.79 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1KMT2AKDM4EMEN1
SCHEMBL7410740 0.78 EPHX1 (0.54) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL27523665 0.78 TDP1 (0.47) ALDH1A1L3MBTL1KMT2AKDM4EMEN1
SCHEMBL693351 0.76 TSHR (0.63) ALDH1A1TSHRELANEHTR2CHTR2B
SCHEMBL630517 0.76 TSHR (0.63) ALDH1A1TSHRELANEHTR2CHTR2B
SCHEMBL4069956 0.76 TSHR (0.63) ALDH1A1TSHRELANEHTR2CHTR2B

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-20110039208-A1 PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 — — US disclosed
US-20110039208-A1 PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 — — US disclosed
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