SCHEMBL17058055

SCHEMBL17058055

Cc1ccc(CCCN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC3CCCC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HRH1 P35367 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL11943439 0.94 MAPT (0.45) KMT2AHRH1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14081533 0.88 ALDH1A1 (0.46) KMT2AALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL17057983 0.87 MAPT (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11943446 0.86 SIGMAR1 (0.46) KMT2AALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL11943341 0.84 SIGMAR1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14080963 0.82 NPC1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11943323 0.81 ALDH1A1 (0.42) KMT2AHRH1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11943442 0.81 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11943436 0.80 SIGMAR1 (0.43) KMT2AALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL11943820 0.80 HTR1A (0.39) ALDH1A1LMNAPOLBSIGMAR1KCNH2

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
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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