SCHEMBL23619153

SCHEMBL23619153

C=CN1C=CN(Cc2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SIGMAR1 Q99720 5/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 2/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 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
SCHEMBL3781641 0.80 MAPT (0.37) POLBTP53LMNAKMT2A
SCHEMBL1403573 0.79 SIGMAR1 (0.39) SIGMAR1TDP1
Hydrochloric Acid SCHEMBL4647603 0.78 SIGMAR1 (0.38) SIGMAR1TDP1
Bromide SCHEMBL28938863 0.78 SIGMAR1 (0.38) SIGMAR1TDP1
SCHEMBL28987702 0.72 PDE4A (0.40) POLBTSHRLMNAPDE4DKMT2A
SCHEMBL5718741 0.70 — —
SCHEMBL6047987 0.69 KCNH2 (0.50) POLBKCNH2SIGMAR1S1PR4S1PR1
Water SCHEMBL31606825 0.69 — —
Fluoride SCHEMBL31038486 0.69 — —
SCHEMBL30074785 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11745147-B2 Curable poly(RTIL)-based mixed-matrix membranes and methods using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-09-05 — — US disclosed
US-20210205762-A1 CURABLE POLY(RTIL)-BASED MIXED-MATRIX MEMBRANES AND METHODS USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-07-08 — — US disclosed
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