SCHEMBL11697648

SCHEMBL11697648

O=C(O)c1ccc(C=Cc2ccc(-c3c[nH]nn3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ FBP1 P09467 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ XDH P47989 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RARA P10276 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ HTT P42858 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
SCHEMBL11697638 1.00 PTPN1 (0.41) PTPN1ALDH1A1FBP1KMT2AMEN1
SCHEMBL14234069 0.91 KDM4E (0.45) ALDH1A1KDM4ECHEK1RAB9APOLB
SCHEMBL10648311 0.85 KDM4E (0.36) ALDH1A1KMT2AMEN1KDM4ECYP2D6
SCHEMBL10648278 0.85 KDM4E (0.36) ALDH1A1KMT2AMEN1KDM4ECYP2D6
SCHEMBL11800913 0.83 ESR1 (0.47) PTPN1ALDH1A1KMT2AMEN1ATM
SCHEMBL11800928 0.83 ESR1 (0.47) PTPN1ALDH1A1KMT2AMEN1ATM
SCHEMBL9720925 0.82 MEN1 (0.42) KMT2AMEN1KDM4ECHEK1RAB9A
SCHEMBL9720929 0.82 MEN1 (0.42) KMT2AMEN1KDM4ECHEK1RAB9A
SCHEMBL16492294 0.79 GLA (0.46) ALDH1A1ATMKDM4ERAB9ANPC1
SCHEMBL11509763 0.79 RXFP1 (0.42) ALDH1A1KMT2AMEN1XDHKDM4E

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
US-4017483-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1977-04-12 — — US disclosed
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