SCHEMBL9324328

SCHEMBL9324328

CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)Cc1ccsc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.48
▸ SIGMAR1 Q99720 2/20 0.48
▸ MAPT P10636 7/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ALOX12 P18054 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ THRB P10828 1/20 0.40

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
SCHEMBL9327603 0.86 LMNA (0.53) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL9326050 0.82 SMN1; SMN2 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL9324472 0.81 CA1 (0.42) SIGMAR1MAPTALDH1A1KDM4ELMNA
SCHEMBL9327633 0.79 KCNH2 (0.50) SIGMAR1MAPTALDH1A1
SCHEMBL9326379 0.78 KCNH2 (0.50) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL9324352 0.77 ALDH1A1 (0.47) TMEM97SIGMAR1MAPTALDH1A1KDM4E
SCHEMBL9325692 0.73 HTR2A (0.36) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL3570124 0.73 LMNA (0.65) TMEM97SIGMAR1MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9053101 0.72 LMNA (0.66) TMEM97SIGMAR1MAPTALDH1A1KDM4E
SCHEMBL9327453 0.71 KCNH2 (0.55) SIGMAR1MAPTALDH1A1MEN1KMT2A

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
US-5310941-A Antiarrythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-05-10 — — US disclosed
US-5208252-A Antiarrhythmia ORTHO PHARMACEUTICAL CORPORATION (US) 1993-05-04 — — US disclosed
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