SCHEMBL29910261

SCHEMBL29910261

c1ccc2c3c(ccc2c1)NCCO3

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
DRD2 P14416 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 1/20 0.37
AR P10275 1/20 0.37
HPRT1 P00492 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NISCH Q9Y2I1 4/20 0.35
BRD4 O60885 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
EGFR P00533 1/20 0.34
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 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
SCHEMBL6153900 1.00 GRM5 (0.40) GRM5ALDH1A1HSD17B10DRD2CYP2A6
SCHEMBL31243465 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL22744553 0.72 SSTR4 (0.49)
SCHEMBL4897580 0.71 GAA (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1191697 0.71 KDM4E (0.38) GRM5ALDH1A1HSD17B10GAABRD4
SCHEMBL3073151 0.69 ITGB2 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3071035 0.69 HSD17B10 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1971305 0.69 NFKB1 (0.40) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29910203 0.69 NFKB1 (0.40) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31179845 0.68 DRD2 (0.32) GRM5ALDH1A1HSD17B10DRD2HTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3367143-B1 POLARIZING PHOTOCHROMIC DEVICES AND METHODS OF MAKING THE SAME TRANSITIONS OPTICAL INC (US) 2023-01-11 EP claimed
EP-2718755-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-05-29 EP disclosed
EP-2718754-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-01-24 EP disclosed
EP-3367143-B1 POLARIZING PHOTOCHROMIC DEVICES AND METHODS OF MAKING THE SAME TRANSITIONS OPTICAL INC (US) 2023-01-11 EP disclosed
EP-2895896-B1 A PHOTOCHROMIC ARTICLE HAVING AT LEAST PARTIALLY CROSSED POLARIZED PHOTOCHROMIC-DICHROIC AND FIXED-POLARIZED LAYERS TRANSITIONS OPTICAL INC (US) 2022-11-02 EP disclosed