SCHEMBL468178

SCHEMBL468178

CCCCc1s[c]nc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
HSD11B1 P28845 2/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.37
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
CDC25B P30305 2/20 0.36
DUSP3 P51452 2/20 0.36
USP2 O75604 1/20 0.36
SOAT1 P35610 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2301856 0.82 ALDH1A1 (0.50) MAPTALDH1A1NPSR1TSHRATP4A
SCHEMBL17628672 0.75 HTT (0.54) MAPTALDH1A1NPSR1CDC25BDUSP3
SCHEMBL4724668 0.74 SOAT1 (0.43) GPR84MAPTALDH1A1NPSR1ATP4A
SCHEMBL3185311 0.74 CALM1 (0.39) MAPTALDH1A1TSHR
SCHEMBL11994166 0.73 GPR84 (0.43) GPR84HSD11B1MAPTALDH1A1NPSR1
SCHEMBL329947 0.73 HSD11B1 (0.40) GPR84HSD11B1MAPTALDH1A1TSHR
SCHEMBL11994177 0.72 ATP4A (0.58) MAPTALDH1A1NPSR1ATP4AATP4B
SCHEMBL11994165 0.72 ALDH1A1 (0.47) GPR84MAPTALDH1A1ATP4AATP4B
SCHEMBL2398613 0.71 HSD11B1 (0.51) HSD11B1MAPTALDH1A1TSHRHSD17B10
SCHEMBL10475629 0.71 ALDH1A1 (0.71) GPR84MAPTALDH1A1ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed