SCHEMBL5069468

SCHEMBL5069468

Cc1nccn1CCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.59
P2RX7 Q99572 1/20 0.52
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TSHR P16473 2/20 0.46
SIGMAR1 Q99720 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
SCHEMBL3403642 0.90 ALDH1A1 (0.58) ALDH1A1POLBKMT2AP2RX7TSHR
Hydrochloric Acid SCHEMBL10999188 0.88 ALDH1A1 (0.56) ALDH1A1POLBKMT2AP2RX7TSHR
SCHEMBL11439742 0.83 ALDH1A1 (0.48) ALDH1A1POLBKMT2AP2RX7CA12
SCHEMBL8543286 0.81 GRIN2B (0.55) P2RX7SIGMAR1
SCHEMBL27541411 0.81 ALDH1A1 (0.50) ALDH1A1POLBKMT2AP2RX7TSHR
SCHEMBL14416035 0.80 KMT2A (0.51) ALDH1A1POLBKMT2AP2RX7CA12
SCHEMBL27220819 0.80 ALDH1A1 (0.51) ALDH1A1POLBKMT2AP2RX7CA12
SCHEMBL10832722 0.80 SIGMAR1 (0.44) POLBTSHRSIGMAR1
SCHEMBL25009512 0.80 ALDH1A1 (0.80) ALDH1A1POLBKMT2AP2RX7CA12
SCHEMBL27090339 0.80 ALDH1A1 (0.80) ALDH1A1POLBKMT2AP2RX7CA12

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
WO-2008026786-A1 SALT FOR NEAR INFRARED RAY ABSORBING COMPOSITION AND NEAR INFRARED RAY ABSORBING PRESSURE SENSITIVE ADHESIVE COMPOSITION NIPPON SHOKUBAI CO., LTD. (JP) 2008-03-06 WO disclosed
EP-1846423-A2 BORATE AND NEAR-INFRARED RAY ABSORPTION MATERIAL Nippon Shokubai Co.,Ltd. (JP) 2007-10-24 EP disclosed
WO-2006082945-A2 BORATE AND NEAR-INFRARED RAY ABSORPTION MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2006-08-10 WO disclosed