SCHEMBL10695450

SCHEMBL10695450

CN(C)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.58
SRD5A2 P31213 2/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
TDP1 Q9NUW8 4/20 0.49
MAPT P10636 5/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 4/20 0.46
CYP3A4 P08684 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL9253503 0.85 MAPT (0.60) LTC4SALDH1A1KDM4ETDP1MAPT
SCHEMBL31119630 0.85 MAPT (0.60) LTC4SALDH1A1KDM4ETDP1MAPT
SCHEMBL18492956 0.84 MAPT (0.58) LTC4SALDH1A1KDM4ETDP1MAPT
SCHEMBL5051298 0.83 SRD5A2 (0.67) LTC4SSRD5A2ALDH1A1KDM4ETDP1
SCHEMBL11443974 0.82 ALDH1A1 (0.64) LTC4SALDH1A1KDM4EGLATDP1
SCHEMBL10605623 0.81 AKR1C3 (0.58) LTC4SSRD5A2ALDH1A1KDM4ETDP1
SCHEMBL9218197 0.81 HPGD (0.61) LTC4SALDH1A1KDM4EMAPTNPC1
SCHEMBL6326580 0.81 ALDH1A1 (0.68) SRD5A2ALDH1A1TDP1MAPTNPC1
SCHEMBL10691446 0.80 NR4A1 (0.57) LTC4SSRD5A2ALDH1A1TDP1MAPT
SCHEMBL11648215 0.79 MAPT (0.60) ALDH1A1KDM4EGLATDP1MAPT

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
US-4748148-A Recording system utilizing phthalide derivatives as colorless chromogenic material NEW OJI PAPER CO., LTD. (JP) 1988-05-31 US disclosed
US-4641160-A Recording system utilizing phthalide derivatives as colorless chromogenic material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1987-02-03 US disclosed
EP-0127203-A1 New phthalide derivatives, process for preparing the same and recording system utilizing the same as colourless chromogenic material KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1984-12-05 EP disclosed
EP-0062544-A1 New phthalide derivatives, process for preparing the same and recording system utilizing the same as colourless chromogenic material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1982-10-13 EP disclosed