SCHEMBL10907668

SCHEMBL10907668

O=C(O)NCCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 2/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PTPN1 P18031 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL1694357 0.90 KMT2A (0.55) ALDH1A1TSHRKMT2AMEN1NPC1
SCHEMBL1252918 0.82 KMT2A (0.64) ALDH1A1TSHRKMT2AMEN1NPC1
SCHEMBL7306219 0.82 ALDH1A1 (0.50) ALDH1A1TSHRKMT2AMEN1NPC1
SCHEMBL16443764 0.80 KMT2A (0.48) ALDH1A1TSHRKMT2AMEN1NPC1
SCHEMBL19031434 0.79 ALDH1A1 (0.50) ALDH1A1TSHRKMT2AMEN1NPC1
SCHEMBL1352270 0.79 ALDH1A1 (0.53) ALDH1A1TSHRKMT2AMEN1NPC1
SCHEMBL4657892 0.79 ALDH1A1 (0.53) ALDH1A1TSHRKMT2AMEN1NPC1
SCHEMBL3827192 0.79 MAPK1 (0.51) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL28991006 0.78 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AMEN1NPC1
SCHEMBL29649222 0.78 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AMEN1NPC1

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-4590211-A USING HYDROXYUREA PRODURG FOR SKIN DISORDERS THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
US-4302457-A ACTIVATION OF PRO-DRUGS BY ULTRAVIOLET RADIATION IN TREATMENT OF SKIN DISORDERS THE UPJOHN COMPANY (US) 1981-11-24 US disclosed
US-4302456-A UV RADIATION ACTIVATION OF PRO-DRUG, FOR SKIN DISEASE THE UPJOHN COMPANY (US) 1981-11-24 US disclosed
US-4235887-A ADMINISTERING PRO-DRUG STEROID FOR SKIN DISORDERS THE UPJOHN COMPANY (US) 1980-11-25 US disclosed