SCHEMBL17841973

SCHEMBL17841973

O=[N+]([O-])c1ccccc1-c1cc2[nH]c3ccccc3c2c2ccc3c4ccccc4ccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.49
▸ CHEK1 O14757 1/20 0.46
▸ WEE1 P30291 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ GUSB P08236 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ CTSV O60911 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ C1R P00736 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GABRP O00591 2/20 0.36

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
SCHEMBL17864090 0.77 MAP3K9 (0.46) HPRT1CHEK1WEE1ALDH1A1CDK4
SCHEMBL17841971 0.77 HPRT1 (0.58) HPRT1KMT2AALDH1A1GUSBGAA
SCHEMBL2627610 0.77 HPRT1 (0.71) HPRT1KMT2AALDH1A1GUSBMEN1
SCHEMBL15821069 0.77 HPRT1 (0.65) HPRT1KMT2AALDH1A1GUSBMEN1
SCHEMBL17841980 0.77 HPRT1 (0.65) HPRT1KMT2AALDH1A1GUSBMEN1
SCHEMBL17841957 0.76 CDK4 (0.49) HPRT1ALDH1A1CDK4CCND1MAPT
SCHEMBL25800756 0.76 KMT2A (0.55) CHEK1WEE1KMT2AALDH1A1GUSB
SCHEMBL9832534 0.74 WEE1 (0.78) CHEK1WEE1KMT2ACDK4CCND1
SCHEMBL17841975 0.73 HPRT1 (0.45) HPRT1KMT2AALDH1A1GUSBMEN1
SCHEMBL22211955 0.73 ALDH1A1 (0.59) HPRT1KMT2AALDH1A1GUSBGAA

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
WO-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 — — WO disclosed
WO-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 — — WO disclosed
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