SCHEMBL9477157

SCHEMBL9477157

C=CC(Oc1ccc(C=[N+]([O-])C(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.35
CASR P41180 1/20 0.32
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
SLC7A5 Q01650 5/20 0.30
TLR4 O00206 1/20 0.30
TLR2 O60603 1/20 0.30

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
SCHEMBL9478805 0.81 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL4865335 0.77 SRD5A2 (0.42) MAPTALOX15SLC7A5
SCHEMBL19084670 0.76 ALDH1A3 (0.50) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL8466535 0.75 SLC7A5 (0.40) ALDH1A1NPC1RAB9AALOX15KMT2A
SCHEMBL244830 0.74 TDP1 (0.59) ALDH1A1MAPTALOX15TDP1KMT2A
SCHEMBL267779 0.74 TDP1 (0.59) ALDH1A1MAPTALOX15TDP1KMT2A
SCHEMBL3291158 0.74 SLC6A4 (0.39) ALDH1A1MAPTALOX15CASRSLC7A5
SCHEMBL6260317 0.74 TDP1 (0.59) ALDH1A1MAPTALOX15TDP1KMT2A
SCHEMBL8625767 0.73 ALDH1A3 (0.50) ALDH1A1RAB9AMAPTKMT2ALTB4R
SCHEMBL3294031 0.73 NPSR1 (0.41) ALDH1A1KMT2ASLC7A5

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-5219710-A Optical waveguides; change refractive index upon exposure to actinic radiation; heat resistant ALLIED-SIGNAL INC. (US) 1993-06-15 US claimed
WO-1993011169-A1 POLYMERIC NITRONES HAVING A STYRENE-DERIVED BACKBONE CHAIN ALLIED-SIGNAL INC. (US) 1993-06-10 WO disclosed