SCHEMBL30489441

SCHEMBL30489441

C=Cc1cccc(N)c1C=C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
IMPDH2 P12268 1/20 0.36
CYP3A4 P08684 4/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CA P42336 1/20 0.35
KEAP1 Q14145 1/20 0.31
CD44 P16070 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 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
SCHEMBL2795744 1.00 ALDH1A1 (0.39) ALDH1A1IMPDH2CYP3A4TSHRHPGD
SCHEMBL6683852 0.92 IMPDH2 (0.36) ALDH1A1IMPDH2CYP3A4TSHRHPGD
Styrene SCHEMBL3805025 0.88 ALDH1A1 (0.52) ALDH1A1IMPDH2CYP3A4TSHRTDP1
SCHEMBL18301 0.82 ALDH1A1 (0.48) ALDH1A1TSHRTDP1
SCHEMBL14279772 0.81 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL28917788 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTDP1
Benzene SCHEMBL3430618 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTDP1
SCHEMBL21309503 0.78 CYP3A4 (0.31) IMPDH2CYP3A4TSHRPIK3CA
SCHEMBL14208066 0.78 SLC9A1 (0.32) ALDH1A1CYP3A4TSHRPIK3CA
SCHEMBL242300 0.78 CD44 (0.42) ALDH1A1CYP3A4TSHRHPGDHSD17B10

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
EP-4448142-A1 CO2 ADSORPTION SYSTEM AND METHOD FOR CO2 ADSORPTION USING HUMIDITY STABLE POLYSTYRENE-DIVINYLBENZENE AMINE FUNCTIONALIZED POLYMERIC ADSORBENTS Climeworks AG (CH) 2024-10-23 EP disclosed
EP-4448142-A1 CO2 ADSORPTION SYSTEM AND METHOD FOR CO2 ADSORPTION USING HUMIDITY STABLE POLYSTYRENE-DIVINYLBENZENE AMINE FUNCTIONALIZED POLYMERIC ADSORBENTS Climeworks AG (CH) 2024-10-23 EP disclosed
WO-2023110520-A1 CO2 ADSORPTION SYSTEM AND METHOD FOR CO2 ADSORPTION USING HUMIDITY STABLE POLYSTYRENE-DIVINYLBENZENE AMINE FUNCTIONALIZED POLYMERIC ADSORBENTS CLIMEWORKS AG (CH) 2023-06-22 WO disclosed
WO-2023110520-A1 CO2 ADSORPTION SYSTEM AND METHOD FOR CO2 ADSORPTION USING HUMIDITY STABLE POLYSTYRENE-DIVINYLBENZENE AMINE FUNCTIONALIZED POLYMERIC ADSORBENTS CLIMEWORKS AG (CH) 2023-06-22 WO disclosed