SCHEMBL16271200

SCHEMBL16271200

C=Cc1cn(-c2ccccc2)nn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.67
▸ NOTUM Q6P988 3/20 0.50
▸ MAOA P21397 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ ESRRA P11474 1/20 0.41
▸ DDB1 Q16531 2/20 0.40
▸ CRBN Q96SW2 2/20 0.40
▸ CD74 P04233 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38

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
SCHEMBL16271198 0.82 MAOA (0.51) P2RX7NOTUMMAOAL3MBTL1RAB9A
Propene SCHEMBL28268699 0.80 P2RX7 (0.83) P2RX7NOTUMMAOAL3MBTL1DRD2
SCHEMBL21066900 0.80 P2RX7 (0.67) P2RX7NOTUMMAOAL3MBTL1DRD2
SCHEMBL2819653 0.80 P2RX7 (1.00) P2RX7NOTUMMAOAL3MBTL1DRD2
SCHEMBL2358990 0.75 P2RX7 (0.55) P2RX7NOTUMMAOAL3MBTL1DRD2
SCHEMBL7544323 0.74 NOTUM (0.62) P2RX7NOTUMMAOAL3MBTL1DRD2
SCHEMBL11400969 0.72 ESRRA (0.55) P2RX7NOTUMMAOAL3MBTL1ESRRA
SCHEMBL23028378 0.71 NOTUM (0.58) P2RX7NOTUMMAOAL3MBTL1DRD2
SCHEMBL2889068 0.71 P2RX7 (0.55) P2RX7NOTUMMAOAL3MBTL1DRD2
SCHEMBL16090354 0.71 P2RX7 (0.55) P2RX7NOTUMMAOAL3MBTL1DRD2

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-8906135-B1 Method of purifying a gas stream using 1,2,3-triazolium ionic liquids U.S. DEPARTMENT OF ENERGY (US) 2014-12-09 — — US disclosed
US-8907105-B1 1,2,3-triazolium ionic liquids U.S. DEPARTMENT OF ENERGY (US) 2014-12-09 — — US disclosed
Send feedback