SCHEMBL3972409

SCHEMBL3972409

FN(F)C(F)(F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PTPN1 P18031 2/20 0.41
KCNN4 O15554 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
KIF11 P52732 1/20 0.39
MAPK1 P28482 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
PTPN5 P54829 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
MGLL Q99685 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CYP1A2 P05177 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL5250544 0.79 KCNN4 (0.48) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL8800379 0.79 TSHR (0.48) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL1336610 0.76 KCNN4 (0.56) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL11769050 0.74 KCNN4 (0.55) TSHRALDH1A1PTPN1KCNN4CA1
Trifluoromethylbenzene SCHEMBL11134163 0.72 TSHR (0.78) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL5609995 0.71 TSHR (0.58) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL4125243 0.70 TSHR (0.44) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL3223142 0.70 ALDH1A1 (0.44) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL812047 0.70 ALDH1A1 (0.44) TSHRALDH1A1PTPN1KCNN4CA1
Trifluoromethylbenzene SCHEMBL175647 0.69 TSHR (1.00) TSHRALDH1A1PTPN1KCNN4CA1

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
CN-115867091-A Perovskite solar cell and preparation method thereof 宣城先进光伏技术有限公司 2023-03-28 CN claimed
CN-115867091-A Perovskite solar cell and preparation method thereof 宣城先进光伏技术有限公司 2023-03-28 CN disclosed
EP-2037951-A2 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY Sirion Therapeutics, Inc. (US) 2009-03-25 EP disclosed
WO-2007150046-A2 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC (US) 2007-12-27 WO disclosed