SCHEMBL28226960

SCHEMBL28226960

B(c1ccccc1)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.50
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATAD2 Q6PL18 1/20 0.38
▸ CYP2D6 P10635 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ PLOD2 O00469 1/20 0.37
▸ PLOD3 O60568 1/20 0.37

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
Pyridine SCHEMBL28721033 0.89 TSHR (0.50) NOTUMSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL19750252 0.88 LMNA (0.47) NOTUMSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL21823912 0.87 NOTUM (0.71) NOTUMKMT2ALMNAMAPTNPC1
SCHEMBL339826 0.82 BBOX1 (0.41) MEN1KMT2ALMNAMAPTCYP3A4
SCHEMBL28049883 0.80 SLC6A2 (0.48) NOTUMSLC6A2SLC6A4SLC6A3MEN1
Hydrochloric Acid SCHEMBL30702244 0.78 BBOX1 (0.39) MEN1KMT2ALMNAMAPTCYP3A4
Bromide SCHEMBL9081012 0.78 BBOX1 (0.39) MEN1KMT2ALMNAMAPTCYP3A4
SCHEMBL26417080 0.78 BBOX1 (0.39) MEN1KMT2ALMNAMAPTCYP3A4
Benzene SCHEMBL27586265 0.78 BBOX1 (0.39) MEN1KMT2ALMNAMAPTCYP3A4
SCHEMBL14523884 0.67 TDP1 (0.35) MEN1KMT2ALMNACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105778894-B A kind of fluorescent reagent of the micro gamma globulin of detection, preparation method and application 北京理工大学 2018-07-24 — — CN claimed
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