SCHEMBL26218874

SCHEMBL26218874

CC1(c2cccc([N+](=O)[O-])c2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
ACHE P22303 1/20 0.49
ALDH1A1 P00352 7/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
SLC6A2 P23975 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CHRND Q07001 1/20 0.46
PGR P06401 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CHRNA7 P36544 1/20 0.44

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
SCHEMBL26218870 0.98 KDM1A (0.54) KDM1ATSHRLMNAACHEALDH1A1
SCHEMBL10184986 0.91 TSHR (0.57) KDM1ATSHRLMNAACHEALDH1A1
SCHEMBL26218788 0.82 CYP19A1 (0.45) KDM1ATSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL26218795 0.80 CYP19A1 (0.46) KDM1ATSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL10155679 0.80 KDM1A (0.56) KDM1ATSHRLMNAALDH1A1
SCHEMBL26218807 0.79 MAPT (0.48) TSHRLMNAACHEALDH1A1ALOX15
SCHEMBL6674979 0.78 AKR1C1 (0.56) KDM1ATSHRLMNAALDH1A1ALOX15
SCHEMBL30492221 0.77 KDM1A (0.50) KDM1ATSHRLMNAALDH1A1TDP1
Hydrochloric Acid SCHEMBL10669381 0.77 KDM1A (0.44) KDM1ATSHRLMNAACHEALDH1A1
SCHEMBL26218806 0.77 MAPT (0.49) TSHRLMNAACHEALDH1A1ALOX15

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-20230288804-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-14 US disclosed