SCHEMBL8518737

SCHEMBL8518737

NCCNc1ccccc1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA3 P07451 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
IDO1 P14902 3/20 0.47
FERMT2 Q96AC1 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KAT2B Q92831 2/20 0.40
SIGMAR1 Q99720 4/20 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
SCHEMBL5505417 0.78 KDM4E (0.49) ALDH1A1TSHRRECQLHSD17B10MAPT
SCHEMBL2170909 0.78 IDO1 (0.47) ALDH1A1IDO1MAPTHTTSIGMAR1
SCHEMBL8306026 0.76 CA12 (0.57) CA12CA3CA4CA6CA5A
SCHEMBL7333052 0.75 TAAR1 (0.50) CA12CA9ALDH1A1IDO1TAAR1
SCHEMBL8557281 0.75 L3MBTL1 (0.53) ALDH1A1TSHRHSD17B10IDO1TAAR1
SCHEMBL1471292 0.74 IDO1 (0.61) CA12CA3CA4CA6CA5A
SCHEMBL6954997 0.74 MAPT (0.75) CA12CA3CA4CA6CA5A
SCHEMBL7270407 0.74 CA12 (0.55) CA12CA3CA4CA6CA5A
SCHEMBL5643983 0.74 CA12 (0.55) CA12CA3CA4CA6CA5A
SCHEMBL24711106 0.74 CYP2C19 (0.47) ALDH1A1MAPTHTTKAT2B

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-3738955-A1 NOVEL 5-HYDROXYTRYPTAMINE RECEPTOR 7 ACTIVITY MODULATORS AND THEIR METHOD OF USE Temple University Of The Commonwealth System Of Higher Education (US) 2020-11-18 EP disclosed
EP-2970223-B1 NOVEL 5-HYDROXYTRYPTAMINE RECEPTOR 7 ACTIVITY MODULATORS AND THEIR METHOD OF USE UNIV TEMPLE (US) 2020-04-15 EP disclosed
EP-0912899-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION Biotraces, Inc. (US) 1999-05-06 EP disclosed
WO-1998002750-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION BIOTRACES, INC. (US) 1998-01-22 WO disclosed