SCHEMBL14629168

SCHEMBL14629168

CSc1cc([N+](=O)[O-])c2cnncc2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ CCR2 P41597 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 7/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HTT P42858 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL14599175 0.73 TDP1 (0.34) TDP1SMN1; SMN2CYP1A2KMT2AMAPT
SCHEMBL14599185 0.67 SMN1; SMN2 (0.51) TDP1SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL8444670 0.66 TDP1 (0.47) TDP1SMN1; SMN2CYP1A2KMT2AMAPT
SCHEMBL20150186 0.65 TSHR (0.64) TDP1KMT2AMAPTALDH1A1LMNA
SCHEMBL8856185 0.65 HASPIN (0.36) TDP1SMN1; SMN2CYP1A2KMT2AMAPT
SCHEMBL7597811 0.63 TSHR (0.62) TDP1SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL18185040 0.63 TDP1 (0.67) TDP1SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL9432382 0.63 KDM4E (0.46) TDP1CYP1A2MAPTALDH1A1LMNA
SCHEMBL31354776 0.62 CA12 (0.46) TDP1KMT2AMAPTALDH1A1HTT
SCHEMBL3384869 0.61 PDE7A (0.58) TDP1SMN1; SMN2KMT2AMAPTALDH1A1

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-20070003882-A9 Photothermographic material, and image forming method using same FUKUI KOUTA 2007-01-04 — — US disclosed
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